data_global
_chemical_name_mineral 'Heazlewoodite'
loop_
_publ_author_name
'Fleet M E'
_journal_name_full 'American Mineralogist'
_journal_volume 62 
_journal_year 1977
_journal_page_first 341
_journal_page_last 345
_publ_section_title
;
 The crystal structure of heazlewoodite, and metallic bonds in sulfide minerals
;
_database_code_amcsd 0000575
_chemical_formula_sum 'Ni3 S2'
_cell_length_a 4.0821
_cell_length_b 4.0821
_cell_length_c 4.0821
_cell_angle_alpha 89.475
_cell_angle_beta 89.475
_cell_angle_gamma 89.475
_cell_volume 68.014
_exptl_crystal_density_diffrn      5.864
_symmetry_space_group_name_H-M 'R 3 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-z,-y'
  'z,x,y'
  '-y,-x,-z'
  'y,z,x'
  '-z,-y,-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ni   0.50000   0.24700  -0.24700   0.01431
S   0.25500   0.25500   0.25500   0.00063