data_global
_chemical_name_mineral 'Sperrylite'
loop_
_publ_author_name
'Szymanski J T'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 17 
_journal_year 1979
_journal_page_first 117
_journal_page_last 123
_publ_section_title
;
 The crystal structure of platarsite, Pt(As,S)2, and a comparison with
 sperrylite, PtAs2
;
_database_code_amcsd 0005169
_chemical_compound_source 'Onverwacht mine, Transvaal'
_chemical_formula_sum 'Pt.35 Rh.31 Ru.29 Ir.05 Os.01 (As1.02 S.98)'
_cell_length_a 5.788
_cell_length_b 5.788
_cell_length_c 5.788
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 193.903
_exptl_crystal_density_diffrn      8.524
_symmetry_space_group_name_H-M 'P a 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+z,x,1/2-y'
  'z,1/2-x,1/2+y'
  '1/2-z,1/2+x,y'
  '-z,-x,-y'
  '1/2+y,1/2-z,-x'
  '1/2-y,-z,1/2+x'
  '-y,1/2+z,1/2-x'
  'y,z,x'
  'x,1/2-y,1/2+z'
  '1/2-x,1/2+y,z'
  '1/2+x,y,1/2-z'
  '-x,-y,-z'
  '1/2-z,-x,1/2+y'
  '-z,1/2+x,1/2-y'
  '1/2+z,1/2-x,-y'
  'z,x,y'
  '1/2-y,1/2+z,x'
  '1/2+y,z,1/2-x'
  'y,1/2-z,1/2+x'
  '-y,-z,-x'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pt   0.00000   0.00000   0.00000   0.35000
Rh   0.00000   0.00000   0.00000   0.31000
Ru   0.00000   0.00000   0.00000   0.29000
Ir   0.00000   0.00000   0.00000   0.05000
Os   0.00000   0.00000   0.00000   0.01000
As   0.38580   0.38580   0.38580   0.51000
S   0.38580   0.38580   0.38580   0.49000
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
Pt 0.00662 0.00662 0.00662 0.00017 0.00000 0.00017
Rh 0.00662 0.00662 0.00662 0.00017 0.00000 0.00017
Ru 0.00662 0.00662 0.00662 0.00017 0.00000 0.00017
Ir 0.00662 0.00662 0.00662 0.00017 0.00000 0.00017
Os 0.00662 0.00662 0.00662 0.00017 0.00000 0.00017
As 0.00984 0.00984 0.00984 0.00000 0.00000 0.00000
S 0.00984 0.00984 0.00984 0.00000 0.00000 0.00000