data_[Cd4Ga2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0448]
_cell_length_b [7.3707]
_cell_length_c [9.9939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5957]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd2GaBr8]
_chemical_formula_sum '[Cd4 Ga2 Br16]'
_cell_volume [899.4868]
_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
[
  Cd  Cd0  4  0.2495  0.0000  0.3534  1
  Ga  Ga1  2  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.1248  0.2364  0.1369  1
  Br  Br3  4  0.0532  0.5000  0.6546  1
  Br  Br4  4  0.1824  0.0000  0.5614  1
]