data_[Cs6Ga2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [14.2203]
_cell_length_b [7.3079]
_cell_length_c [7.3078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Cs3GaBr4]
_chemical_formula_sum '[Cs6 Ga2 Br8]'
_cell_volume [759.4316]
_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
[
  Cs  Cs0  4  0.2500  0.2483  0.5526  1
  Cs  Cs1  2  0.0000  0.7562  0.5606  1
  Ga  Ga2  2  0.0000  0.2345  0.0353  1
  Br  Br3  4  0.2384  0.2521  0.0524  1
  Br  Br4  2  0.0000  0.2540  0.6513  1
  Br  Br5  2  0.0000  0.8505  0.0580  1
]