data_9004117 _chemical_name 'Enstatite' loop_ _publ_author_name 'Hawthorne F C' 'Ito J' _journal_name_full "The Canadian Mineralogist" _journal_volume 15 _journal_year 1977 _journal_page_first 321 _journal_page_last 338 _publ_section_title ; Synthesis and crystal-structure refinement of transition-metal orthopyroxenes I: Orthoenstatite and (Mg, Mn, Co) orthopyroxene ; _chemical_formula_sum 'Si Mg O3' _cell_length_a 18.216 _cell_length_b 8.813 _cell_length_c 5.179 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 831.424 _symmetry_space_group_name_H-M 'P b c a' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z SiA 0.27171 0.34150 0.05030 SiB 0.47356 0.33730 0.79820 MgM1 0.37580 0.65386 0.86600 MgM2 0.37682 0.48700 0.35870 O1A 0.18332 0.33990 0.03460 O2A 0.31100 0.50240 0.04340 O3A 0.30320 0.22260 -0.16780 O1B 0.56240 0.34020 0.79970 O2B 0.43280 0.48320 0.68900 O3B 0.44770 0.19500 0.60400