data_[K6In2Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8320]
_cell_length_b [8.3376]
_cell_length_c [13.5529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3InBr6]
_chemical_formula_sum '[K6 In2 Br12]'
_cell_volume [731.9207]
_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  4  0.2869  0.0792  0.7562  1.0
  K  K1  2  0.5000  0.0000  0.5000  1.0
  In  In2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.0956  0.0516  0.2244  1.0
  Br  Br4  4  0.2376  0.7265  0.0743  1.0
  Br  Br5  4  0.3356  0.1754  0.0551  1.0
]