data_[Cd4In4Ga4]
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 [C2]
_cell_length_a [5.8835]
_cell_length_b [10.3549]
_cell_length_c [4.9150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CdInGa]
_chemical_formula_sum '[Cd4 In4 Ga4]'
_cell_volume [282.4959]
_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
[
  Cd  Cd0  2  0.0000  0.3668  0.5000  1.0
  Cd  Cd1  2  0.0000  0.7085  0.5000  1.0
  In  In2  2  0.0000  0.5408  0.0000  1.0
  In  In3  2  0.0000  0.8797  0.0000  1.0
  Ga  Ga4  2  0.0000  0.0496  0.5000  1.0
  Ga  Ga5  2  0.0000  0.2073  0.0000  1.0
]