data_[Cs1Rb2Os1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8908]
_cell_length_b [7.0999]
_cell_length_c [10.2661]
_cell_angle_alpha [80.4615]
_cell_angle_beta [76.4096]
_cell_angle_gamma [74.8510]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsRb2OsBr8]
_chemical_formula_sum '[Cs1 Rb2 Os1 Br8]'
_cell_volume [468.3084]
_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
  Rb  Rb1  2  0.4011  0.4053  0.7987  1.0
  Os  Os2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.1164  0.6514  0.0957  1.0
  Br  Br4  2  0.2374  0.0975  0.1122  1.0
  Br  Br5  2  0.2534  0.4844  0.4936  1.0
  Br  Br6  2  0.2763  0.9410  0.7924  1.0
]