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 [P1]
_cell_length_a [4.8803]
_cell_length_b [5.9393]
_cell_length_c [5.9432]
_cell_angle_alpha [60.4716]
_cell_angle_beta [70.2846]
_cell_angle_gamma [79.6011]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CdInGa]
_chemical_formula_sum '[Cd2 In2 Ga2]'
_cell_volume [141.0819]
_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  0.1533  0.6749  0.1690  1.0
  Cd  Cd1  1  0.6546  0.3428  0.3336  1.0
  In  In2  1  0.1419  0.3884  0.8078  1.0
  In  In3  1  0.6538  0.0152  0.9834  1.0
  Ga  Ga4  1  0.1565  0.0247  0.4800  1.0
  Ga  Ga5  1  0.6418  0.7238  0.6362  1.0
]