data_[K10Bi2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.8208]
_cell_length_b [9.8208]
_cell_length_c [9.8745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [K5BiBr8]
_chemical_formula_sum '[K10 Bi2 Br16]'
_cell_volume [952.3714]
_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  8  0.1294  0.2589  0.8646  1
  K  K1  2  0.0000  0.0000  0.5000  1
  Bi  Bi2  2  0.0000  0.5000  0.2500  1
  Br  Br3  8  0.0622  0.2120  0.1870  1
  Br  Br4  8  0.0676  0.3286  0.5313  1
]