data_[Cd2In2Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5601]
_cell_length_b [4.3588]
_cell_length_c [6.3551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1082]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CdInGa]
_chemical_formula_sum '[Cd2 In2 Ga2]'
_cell_volume [143.6846]
_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
[
  Cd  Cd0  2  0.1053  0.7500  0.1811  1
  In  In1  2  0.2741  0.2500  0.5605  1
  Ga  Ga2  2  0.4390  0.2500  0.1038  1
]