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 [P1]
_cell_length_a [2.9951]
_cell_length_b [5.9678]
_cell_length_c [7.2860]
_cell_angle_alpha [106.5970]
_cell_angle_beta [95.2452]
_cell_angle_gamma [102.9711]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AlCdGa]
_chemical_formula_sum '[Al2 Cd2 Ga2]'
_cell_volume [119.9245]
_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  0.6549  0.2631  0.5524  1.0
  Al  Al1  1  0.9455  0.8876  0.2850  1.0
  Cd  Cd2  1  0.3087  0.5360  0.9185  1.0
  Cd  Cd3  1  0.9803  0.9080  0.7191  1.0
  Ga  Ga4  1  0.2742  0.5349  0.3711  1.0
  Ga  Ga5  1  0.5800  0.1526  0.0921  1.0
]