data_[Al4Cd4Ga16]
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 [Cmc2_1]
_cell_length_a [3.1135]
_cell_length_b [14.7107]
_cell_length_c [10.0985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [AlCdGa4]
_chemical_formula_sum '[Al4 Cd4 Ga16]'
_cell_volume [462.5235]
_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
[
  Al  Al0  4  0.0000  0.3406  0.2627  1.0
  Cd  Cd1  4  0.0000  0.2124  0.0181  1.0
  Ga  Ga2  4  0.0000  0.0043  0.2682  1.0
  Ga  Ga3  4  0.0000  0.1137  0.5231  1.0
  Ga  Ga4  4  0.0000  0.3291  0.7744  1.0
  Ga  Ga5  4  0.0000  0.4561  0.5145  1.0
]