data_[K2In4Bi2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6762]
_cell_length_b [8.8109]
_cell_length_c [13.3880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KIn2BiBr6]
_chemical_formula_sum '[K2 In4 Bi2 Br12]'
_cell_volume [770.5136]
_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  0.5000  0.0000  0.0000  1.0
  In  In1  4  0.3000  0.5736  0.7733  1.0
  Bi  Bi2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.0952  0.5778  0.2340  1.0
  Br  Br4  4  0.2479  0.2267  0.0892  1.0
  Br  Br5  4  0.3561  0.6651  0.0370  1.0
]