data_[K10In2Br12]
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 [C2/m]
_cell_length_a [8.2376]
_cell_length_b [14.2534]
_cell_length_c [8.2246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K5InBr6]
_chemical_formula_sum '[K10 In2 Br12]'
_cell_volume [910.4385]
_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  0.0000  0.1651  0.5000  1.0
  K  K1  4  0.0000  0.3328  0.0000  1.0
  K  K2  2  0.0000  0.5000  0.5000  1.0
  In  In3  2  0.0000  0.0000  0.0000  1.0
  Br  Br4  8  0.2491  0.3327  0.7487  1.0
  Br  Br5  4  0.2484  0.5000  0.2496  1.0
]