data_[Al4Cd2Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  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 [12.3300]
_cell_length_b [2.8836]
_cell_length_c [10.3865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2CdGa6]
_chemical_formula_sum '[Al4 Cd2 Ga12]'
_cell_volume [344.3009]
_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
[
  Al  Al0  4  0.1544  0.5000  0.2600  1.0
  Cd  Cd1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.0227  0.0000  0.6902  1.0
  Ga  Ga3  4  0.1543  0.5000  0.5439  1.0
  Ga  Ga4  4  0.2187  0.5000  0.8743  1.0
]