data_5910174 loop_ _publ_author_name 'Wyckoff, R. W. G.' _publ_section_title ; Page 76 & 80 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 ; _journal_name_full 'The Structure of Crystals' _journal_page_first 76 _journal_page_last 80 _journal_volume 3 _journal_year 1951 _chemical_formula_structural In2CdS4 _chemical_formula_sum 'Cd In2 S4' _space_group_IT_number 227 _symmetry_cell_setting cubic _symmetry_Int_Tables_number 227 _symmetry_space_group_name_Hall '-F 4vw 2vw 3' _symmetry_space_group_name_H-M 'F d -3 m :2' _audit_creation_date 2006-05-07 _audit_creation_method ; Page 76 & 80 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 ; _audit_update_record 'created by Girish Upreti, Portland State University' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 10.818 _cell_length_b 10.818 _cell_length_c 10.818 _cell_volume 1266.021 _cod_original_sg_symbol_H-M 'F d -3 m' _cod_original_formula_sum 'In2 Cd S4' _cod_database_code 5910174 loop_ _symmetry_equiv_pos_as_xyz x,y,z x+1/4,-z,y+1/4 x+1/4,z+1/4,-y z+1/4,y+1/4,-x -z,y+1/4,x+1/4 -y,x+1/4,z+1/4 y+1/4,-x,z+1/4 z,x,y y,z,x -y+1/4,-z+1/4,x z,-x+1/4,-y+1/4 -y+1/4,z,-x+1/4 -z+1/4,-x+1/4,y -z+1/4,x,-y+1/4 y,-z+1/4,-x+1/4 x,-y+1/4,-z+1/4 -x+1/4,y,-z+1/4 -x+1/4,-y+1/4,z y+1/4,x+1/4,-z -y,-x,-z z+1/4,-y,x+1/4 -z,-y,-x -x,z+1/4,y+1/4 -x,-z,-y -x,-y,-z -x+3/4,z,-y+3/4 -x+3/4,-z+3/4,y -z+3/4,-y+3/4,x z,-y+3/4,-x+3/4 y,-x+3/4,-z+3/4 -y+3/4,x,-z+3/4 -z,-x,-y -y,-z,-x y+3/4,z+3/4,-x -z,x+3/4,y+3/4 y+3/4,-z,x+3/4 z+3/4,x+3/4,-y z+3/4,-x,y+3/4 -y,z+3/4,x+3/4 -x,y+3/4,z+3/4 x+3/4,-y,z+3/4 x+3/4,y+3/4,-z -y+3/4,-x+3/4,z y,x,z -z+3/4,y,-x+3/4 z,y,x x,-z+3/4,-y+3/4 x,z,y x,y+1/2,z+1/2 x+1/4,-z+1/2,y+3/4 x+1/4,z+3/4,-y+1/2 z+1/4,y+3/4,-x+1/2 -z,y+3/4,x+3/4 -y,x+3/4,z+3/4 y+1/4,-x+1/2,z+3/4 z,x+1/2,y+1/2 y,z+1/2,x+1/2 -y+1/4,-z+3/4,x+1/2 z,-x+3/4,-y+3/4 -y+1/4,z+1/2,-x+3/4 -z+1/4,-x+3/4,y+1/2 -z+1/4,x+1/2,-y+3/4 y,-z+3/4,-x+3/4 x,-y+3/4,-z+3/4 -x+1/4,y+1/2,-z+3/4 -x+1/4,-y+3/4,z+1/2 y+1/4,x+3/4,-z+1/2 -y,-x+1/2,-z+1/2 z+1/4,-y+1/2,x+3/4 -z,-y+1/2,-x+1/2 -x,z+3/4,y+3/4 -x,-z+1/2,-y+1/2 -x,-y+1/2,-z+1/2 -x+3/4,z+1/2,-y+1/4 -x+3/4,-z+1/4,y+1/2 -z+3/4,-y+1/4,x+1/2 z,-y+1/4,-x+1/4 y,-x+1/4,-z+1/4 -y+3/4,x+1/2,-z+1/4 -z,-x+1/2,-y+1/2 -y,-z+1/2,-x+1/2 y+3/4,z+1/4,-x+1/2 -z,x+1/4,y+1/4 y+3/4,-z+1/2,x+1/4 z+3/4,x+1/4,-y+1/2 z+3/4,-x+1/2,y+1/4 -y,z+1/4,x+1/4 -x,y+1/4,z+1/4 x+3/4,-y+1/2,z+1/4 x+3/4,y+1/4,-z+1/2 -y+3/4,-x+1/4,z+1/2 y,x+1/2,z+1/2 -z+3/4,y+1/2,-x+1/4 z,y+1/2,x+1/2 x,-z+1/4,-y+1/4 x,z+1/2,y+1/2 x+1/2,y,z+1/2 x+3/4,-z,y+3/4 x+3/4,z+1/4,-y+1/2 z+3/4,y+1/4,-x+1/2 -z+1/2,y+1/4,x+3/4 -y+1/2,x+1/4,z+3/4 y+3/4,-x,z+3/4 z+1/2,x,y+1/2 y+1/2,z,x+1/2 -y+3/4,-z+1/4,x+1/2 z+1/2,-x+1/4,-y+3/4 -y+3/4,z,-x+3/4 -z+3/4,-x+1/4,y+1/2 -z+3/4,x,-y+3/4 y+1/2,-z+1/4,-x+3/4 x+1/2,-y+1/4,-z+3/4 -x+3/4,y,-z+3/4 -x+3/4,-y+1/4,z+1/2 y+3/4,x+1/4,-z+1/2 -y+1/2,-x,-z+1/2 z+3/4,-y,x+3/4 -z+1/2,-y,-x+1/2 -x+1/2,z+1/4,y+3/4 -x+1/2,-z,-y+1/2 -x+1/2,-y,-z+1/2 -x+1/4,z,-y+1/4 -x+1/4,-z+3/4,y+1/2 -z+1/4,-y+3/4,x+1/2 z+1/2,-y+3/4,-x+1/4 y+1/2,-x+3/4,-z+1/4 -y+1/4,x,-z+1/4 -z+1/2,-x,-y+1/2 -y+1/2,-z,-x+1/2 y+1/4,z+3/4,-x+1/2 -z+1/2,x+3/4,y+1/4 y+1/4,-z,x+1/4 z+1/4,x+3/4,-y+1/2 z+1/4,-x,y+1/4 -y+1/2,z+3/4,x+1/4 -x+1/2,y+3/4,z+1/4 x+1/4,-y,z+1/4 x+1/4,y+3/4,-z+1/2 -y+1/4,-x+3/4,z+1/2 y+1/2,x,z+1/2 -z+1/4,y,-x+1/4 z+1/2,y,x+1/2 x+1/2,-z+3/4,-y+1/4 x+1/2,z,y+1/2 x+1/2,y+1/2,z x+3/4,-z+1/2,y+1/4 x+3/4,z+3/4,-y z+3/4,y+3/4,-x -z+1/2,y+3/4,x+1/4 -y+1/2,x+3/4,z+1/4 y+3/4,-x+1/2,z+1/4 z+1/2,x+1/2,y y+1/2,z+1/2,x -y+3/4,-z+3/4,x z+1/2,-x+3/4,-y+1/4 -y+3/4,z+1/2,-x+1/4 -z+3/4,-x+3/4,y -z+3/4,x+1/2,-y+1/4 y+1/2,-z+3/4,-x+1/4 x+1/2,-y+3/4,-z+1/4 -x+3/4,y+1/2,-z+1/4 -x+3/4,-y+3/4,z y+3/4,x+3/4,-z -y+1/2,-x+1/2,-z z+3/4,-y+1/2,x+1/4 -z+1/2,-y+1/2,-x -x+1/2,z+3/4,y+1/4 -x+1/2,-z+1/2,-y -x+1/2,-y+1/2,-z -x+1/4,z+1/2,-y+3/4 -x+1/4,-z+1/4,y -z+1/4,-y+1/4,x z+1/2,-y+1/4,-x+3/4 y+1/2,-x+1/4,-z+3/4 -y+1/4,x+1/2,-z+3/4 -z+1/2,-x+1/2,-y -y+1/2,-z+1/2,-x y+1/4,z+1/4,-x -z+1/2,x+1/4,y+3/4 y+1/4,-z+1/2,x+3/4 z+1/4,x+1/4,-y z+1/4,-x+1/2,y+3/4 -y+1/2,z+1/4,x+3/4 -x+1/2,y+1/4,z+3/4 x+1/4,-y+1/2,z+3/4 x+1/4,y+1/4,-z -y+1/4,-x+1/4,z y+1/2,x+1/2,z -z+1/4,y+1/2,-x+3/4 z+1/2,y+1/2,x x+1/2,-z+1/4,-y+3/4 x+1/2,z+1/2,y loop_ _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_label 0.00000 0.00000 0.00000 Cd1 0.25000 0.25000 0.25000 Cd2 0.62500 0.62500 0.62500 In1 0.62500 0.87500 0.87500 In2 0.50000 0.00000 0.75000 In3 0.87500 0.62500 0.87500 In4 0.38600 0.38600 0.38600 S1 0.38600 -0.38600 -0.38600 S2 -0.13600 -0.13600 -0.13600 S3 -0.13600 0.63600 0.63600 S4 -0.38600 -0.38600 0.38600 S5 -0.38600 0.38600 -0.38600 S6 0.63600 -0.13600 0.63600 S7 0.63600 0.63600 -0.13600 S8