data_[Al2Cd2Ga2]
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 [P-1]
_cell_length_a [3.1868]
_cell_length_b [5.0347]
_cell_length_c [7.7535]
_cell_angle_alpha [81.9938]
_cell_angle_beta [89.9606]
_cell_angle_gamma [75.3269]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AlCdGa]
_chemical_formula_sum '[Al2 Cd2 Ga2]'
_cell_volume [119.0939]
_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  2  0.1384  0.2353  0.9295  1.0
  Cd  Cd1  2  0.3212  0.7897  0.3999  1.0
  Ga  Ga2  2  0.3949  0.7149  0.7813  1.0
]