data_global
_chemical_name_mineral 'Parkerite'
loop_
_publ_author_name
'Fleet M E'
_journal_name_full 'American Mineralogist'
_journal_volume 58
_journal_year 1973
_journal_page_first 435
_journal_page_last 439
_publ_section_title
;
 The crystal structure of parkerite (Ni3Bi2S2)
;
_database_code_amcsd 318
_chemical_formula_sum 'Ni1.5 Bi S'
_cell_length_a 5.545
_cell_length_b 5.731
_cell_length_c 4.052
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 128.766
_exptl_crystal_density_diffrn  8.488
_symmetry_space_group_name_H-M 'P m a m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,-z'
  '-x,-y,z'
  '1/2-x,y,z'
  '1/2+x,-y,-z'
  '1/2+x,-y,z'
  '1/2-x,y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ni1   0.0  0.0  0.5  1.0  0.01165
Ni2   0.25  0.204  0.0  0.5  0.01165
Bi   0.25  0.7423  0.0  1.0  2.0
S   0.25  0.256  0.5  1.0  2.0
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Bi   0.01  0.01431  0.01317  0.0  0.0  0.0
S   0.0152  0.09626  0.05193  0.0  0.0  0.0