data_[K6Ga2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7233]
_cell_length_b [8.1684]
_cell_length_c [13.3906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3GaBr6]
_chemical_formula_sum '[K6 Ga2 Br12]'
_cell_volume [695.7817]
_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  0.2816  0.0764  0.7531  1.0
  K  K1  2  0.5000  0.0000  0.5000  1.0
  Ga  Ga2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.1007  0.0425  0.2177  1.0
  Br  Br4  4  0.2273  0.7336  0.0672  1.0
  Br  Br5  4  0.3224  0.1707  0.0514  1.0
]