data_[K4Os2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8207]
_cell_length_b [7.4069]
_cell_length_c [7.5528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.6434]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2OsBr6]
_chemical_formula_sum '[K4 Os2 Br12]'
_cell_volume [582.8649]
_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
[
  K  K0  4  0.2492  0.0000  0.7502  1
  Os  Os1  2  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.0262  0.2388  0.7930  1
  Br  Br3  4  0.2378  0.0000  0.2864  1
]