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 [P-1]
_cell_length_a [4.4377]
_cell_length_b [5.5767]
_cell_length_c [6.4563]
_cell_angle_alpha [105.9759]
_cell_angle_beta [93.5712]
_cell_angle_gamma [111.6163]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CdInGa]
_chemical_formula_sum '[Cd2 In2 Ga2]'
_cell_volume [140.3893]
_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  0.3274  0.1567  0.6689  1.0
  In  In1  1  0.0000  0.5000  0.0000  1.0
  In  In2  1  0.0000  0.5000  0.5000  1.0
  Ga  Ga3  2  0.3296  0.1587  0.1486  1.0
]