data_[Cs1K2Os1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Os  2.2000  1.3000  0.6730
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0588]
_cell_length_b [7.2040]
_cell_length_c [9.9338]
_cell_angle_alpha [89.1195]
_cell_angle_beta [89.2978]
_cell_angle_gamma [71.0922]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsK2OsCl8]
_chemical_formula_sum '[Cs1 K2 Os1 Cl8]'
_cell_volume [410.1320]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  K  K1  2  0.4790  0.4881  0.7391  1.0
  Os  Os2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0661  0.2058  0.8315  1.0
  Cl  Cl4  2  0.0789  0.1967  0.1642  1.0
  Cl  Cl5  2  0.3904  0.8057  0.9932  1.0
  Cl  Cl6  2  0.4025  0.2788  0.4910  1.0
]