data_[K2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0857]
_cell_length_b [8.1849]
_cell_length_c [10.4190]
_cell_angle_alpha [100.1868]
_cell_angle_beta [90.8839]
_cell_angle_gamma [107.2202]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KBr4]
_chemical_formula_sum '[K2 Br8]'
_cell_volume [406.6710]
_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  2  0.1817  0.1840  0.7660  1
  Br  Br1  2  0.1859  0.5430  0.2414  1
  Br  Br2  2  0.3136  0.1972  0.3776  1
  Br  Br3  2  0.4464  0.0586  0.1082  1
  Br  Br4  1  0.0000  0.5000  0.0000  1
  Br  Br5  1  0.5000  0.0000  0.5000  1
]