data_1011250
_chemical_name_systematic          'Trinickel disulfide *'
_chemical_name_mineral             'Heazlewoodite'
_chemical_formula_structural       'Ni3 S2'
_chemical_formula_sum              'Ni3 S2'
_publ_section_title                'Die Kristallstruktur von Ni3 S2'
_publ_author_name                  'Westgren, A'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_coden_ASTM                ZAACAB
_journal_volume                    239
_journal_year                      1938
_journal_page_first                82
_journal_page_last                 84
_cell_length_a                     4.049
_cell_length_b                     4.049
_cell_length_c                     4.049
_cell_angle_alpha                  90.3
_cell_angle_beta                   90.3
_cell_angle_gamma                  90.3
_cell_volume                       66.4
_cell_formula_units_Z              1
_exptl_crystal_density_meas        5.85
_symmetry_space_group_name_H-M     'R 3 2 R'
_symmetry_Int_Tables_number        155
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,-x,-z'
  'y,z,x'
  '-x,-z,-y'
  'z,x,y'
  '-z,-y,-x'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ni1+   1.333
  S2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Ni1   Ni1+   3 e 0.5 0.25 -0.25 1.  0 d
  S1    S2-    2 c 0.25 0.25 0.25 1.  0 d