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 [Pm]
_cell_length_a [5.6029]
_cell_length_b [4.6186]
_cell_length_c [5.9588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CdInGa]
_chemical_formula_sum '[Cd2 In2 Ga2]'
_cell_volume [146.9262]
_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  1  0.1947  0.5000  0.6061  1.0
  Cd  Cd1  1  0.3234  0.0000  0.9668  1.0
  In  In2  1  0.8190  0.5000  0.8797  1.0
  In  In3  1  0.9506  0.0000  0.2642  1.0
  Ga  Ga4  1  0.5450  0.0000  0.5571  1.0
  Ga  Ga5  1  0.5773  0.5000  0.3059  1.0
]