data_[K1Li2Os1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  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 [6.4317]
_cell_length_b [7.7018]
_cell_length_c [9.5418]
_cell_angle_alpha [111.5028]
_cell_angle_beta [96.6409]
_cell_angle_gamma [101.7377]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KLi2OsBr8]
_chemical_formula_sum '[K1 Li2 Os1 Br8]'
_cell_volume [421.0730]
_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
  Li  Li1  2  0.3744  0.3698  0.3361  1.0
  Os  Os2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.0574  0.7651  0.7523  1.0
  Br  Br4  2  0.1578  0.8298  0.1408  1.0
  Br  Br5  2  0.3650  0.2183  0.0408  1.0
  Br  Br6  2  0.4976  0.2740  0.5454  1.0
]