data_[K4In8Br24]
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/c]
_cell_length_a [15.6364]
_cell_length_b [13.4797]
_cell_length_c [8.6944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K(InBr3)2]
_chemical_formula_sum '[K4 In8 Br24]'
_cell_volume [1696.0516]
_cell_formula_units_Z [4]
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  0.1174  0.7500  1.0
  In  In1  8  0.2128  0.4053  0.7159  1.0
  Br  Br2  8  0.1082  0.0823  0.1632  1.0
  Br  Br3  8  0.1438  0.4934  0.9258  1.0
  Br  Br4  8  0.1734  0.2185  0.6788  1.0
]