data_[Os8Au2Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.9076]
_cell_length_b [4.9076]
_cell_length_c [12.3721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Os4AuCl2]
_chemical_formula_sum '[Os8 Au2 Cl4]'
_cell_volume [297.9739]
_cell_formula_units_Z [2]
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  4  0.0000  0.0000  0.2160  1
  Os  Os1  4  0.0000  0.5000  0.0000  1
  Au  Au2  2  0.0000  0.0000  0.0000  1
  Cl  Cl3  4  0.0000  0.0000  0.3900  1
]