data_[Cd4In8Ga12]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [13.2634]
_cell_length_b [7.5592]
_cell_length_c [5.8412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CdIn2Ga3]
_chemical_formula_sum '[Cd4 In8 Ga12]'
_cell_volume [585.6392]
_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  4  0.0000  0.1664  0.2500  1.0
  In  In1  8  0.1683  0.3394  0.7500  1.0
  Ga  Ga2  8  0.1630  0.0000  0.0000  1.0
  Ga  Ga3  4  0.0000  0.5000  0.0000  1.0
]