data_global
_chemical_name_mineral 'Tolovkite'
loop_
_publ_author_name
'Bayliss P'
_journal_name_full 'American Mineralogist'
_journal_volume 74 
_journal_year 1989
_journal_page_first 1168
_journal_page_last 1176
_publ_section_title
;
 Crystal chemistry and crystallography of some minerals within the pyrite group
;
_database_code_amcsd 0001275
_chemical_formula_sum 'Ir Sb S'
_cell_length_a 6.025
_cell_length_b 6.025
_cell_length_c 6.025
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 218.711
_exptl_crystal_density_diffrn     10.509
_symmetry_space_group_name_H-M 'P c a 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,-y,z'
  '1/2-x,y,1/2+z'
  '-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ir  -0.00670   0.26120   0.00220   0.00253
Sb   0.37760   0.62760   0.37760   0.00507
S   0.62240   0.87240   0.62240   0.01013