data_[Cd8Ga12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5606]
_cell_length_b [15.6581]
_cell_length_c [5.0571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd2Ga3]
_chemical_formula_sum '[Cd8 Ga12]'
_cell_volume [438.0331]
_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  0.1757  0.0000  1.0
  Cd  Cd1  4  0.2500  0.2500  0.5000  1.0
  Ga  Ga2  8  0.0861  0.4117  0.2544  1.0
  Ga  Ga3  4  0.1227  0.0000  0.2725  1.0
]