data_[K1H2Os1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  H  2.2000  0.2500  0.0000
  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 [6.9821]
_cell_length_b [7.1963]
_cell_length_c [9.1839]
_cell_angle_alpha [74.0103]
_cell_angle_beta [82.8949]
_cell_angle_gamma [77.0429]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KH2OsBr8]
_chemical_formula_sum '[K1 H2 Os1 Br8]'
_cell_volume [431.3590]
_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
[
  K  K0  1  0.0000  0.0000  0.5000  1.0
  H  H1  2  0.3976  0.7425  0.7685  1.0
  Os  Os2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.0873  0.2250  0.7533  1.0
  Br  Br4  2  0.1108  0.2112  0.1326  1.0
  Br  Br5  2  0.3399  0.7956  0.0002  1.0
  Br  Br6  2  0.4438  0.7083  0.6150  1.0
]