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 [Pm]
_cell_length_a [2.9291]
_cell_length_b [4.6710]
_cell_length_c [8.6767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4989]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [AlCdGa]
_chemical_formula_sum '[Al2 Cd2 Ga2]'
_cell_volume [118.7101]
_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  1  0.2727  0.0000  0.1707  1
  Al  Al1  1  0.7481  0.0000  0.8848  1
  Cd  Cd2  1  0.2194  0.5000  0.7268  1
  Cd  Cd3  1  0.7124  0.0000  0.5232  1
  Ga  Ga4  1  0.2443  0.5000  0.3625  1
  Ga  Ga5  1  0.7724  0.5000  0.0698  1
]