data_[Cd8In4Ga4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  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 [C2/c]
_cell_length_a [14.8414]
_cell_length_b [13.8024]
_cell_length_c [7.7428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7280]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd2InGaBr6]
_chemical_formula_sum '[Cd8 In4 Ga4 Br24]'
_cell_volume [1558.3720]
_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
[
  Cd  Cd0  8  0.2035  0.4112  0.7684  1.0
  In  In1  4  0.0000  0.1000  0.7500  1.0
  Ga  Ga2  4  0.0000  0.2786  0.2500  1.0
  Br  Br3  8  0.1163  0.1025  0.1607  1.0
  Br  Br4  8  0.1293  0.2555  0.6113  1.0
  Br  Br5  8  0.1431  0.4313  0.0764  1.0
]