data_[K2In2Ga2Br6]
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
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4055]
_cell_length_b [4.5620]
_cell_length_c [11.1481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6420]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KInGaBr3]
_chemical_formula_sum '[K2 In2 Ga2 Br6]'
_cell_volume [468.5032]
_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  0.1680  0.2500  0.1887  1.0
  In  In1  2  0.3350  0.7500  0.8478  1.0
  Ga  Ga2  2  0.1633  0.2500  0.6223  1.0
  Br  Br3  2  0.0997  0.2500  0.8858  1.0
  Br  Br4  2  0.1440  0.7500  0.4343  1.0
  Br  Br5  2  0.4081  0.7500  0.1214  1.0
]