data_[Al4Cd4Ga4]
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 [Cm]
_cell_length_a [9.4003]
_cell_length_b [4.2087]
_cell_length_c [6.3455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3455]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AlCdGa]
_chemical_formula_sum '[Al4 Cd4 Ga4]'
_cell_volume [238.2881]
_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  2  0.0880  0.5000  0.6254  1.0
  Al  Al1  2  0.2571  0.0000  0.4817  1.0
  Cd  Cd2  2  0.0928  0.5000  0.1195  1.0
  Cd  Cd3  2  0.4231  0.5000  0.2886  1.0
  Ga  Ga4  2  0.2524  0.0000  0.9289  1.0
  Ga  Ga5  2  0.4184  0.5000  0.7687  1.0
]