data_[Os1Au1S1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Os  2.2000  1.3000  0.6730
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8576]
_cell_length_b [4.8576]
_cell_length_c [5.0972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [OsAuSCl2]
_chemical_formula_sum '[Os1 Au1 S1 Cl2]'
_cell_volume [120.2758]
_cell_formula_units_Z [1]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Os  Os0  1  0.5000  0.5000  0.5000  1
  Au  Au1  1  0.0000  0.0000  0.0000  1
  S  S2  1  0.0000  0.0000  0.5000  1
  Cl  Cl3  2  0.0000  0.5000  0.0000  1
]