data_[Cd2In34Ga22]
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 [Cm]
_cell_length_a [11.3093]
_cell_length_b [14.6879]
_cell_length_c [9.2769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdIn17Ga11]
_chemical_formula_sum '[Cd2 In34 Ga22]'
_cell_volume [1407.2539]
_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  0.3205  0.0000  0.1039  1
  In  In1  4  0.0007  0.3583  0.3541  1
  In  In2  4  0.0171  0.3245  0.6906  1
  In  In3  4  0.1686  0.1854  0.9757  1
  In  In4  4  0.1754  0.1792  0.5903  1
  In  In5  4  0.2989  0.2980  0.3505  1
  In  In6  4  0.4829  0.1268  0.9990  1
  In  In7  2  0.1968  0.5000  0.7096  1
  In  In8  2  0.2048  0.5000  0.3633  1
  In  In9  2  0.3552  0.0000  0.6493  1
  In  In10  2  0.4900  0.5000  0.3632  1
  In  In11  2  0.4981  0.5000  0.9983  1
  Ga  Ga12  4  0.2311  0.0951  0.3240  1
  Ga  Ga13  4  0.2512  0.4075  0.0472  1
  Ga  Ga14  4  0.3406  0.3060  0.8504  1
  Ga  Ga15  4  0.4294  0.3966  0.6569  1
  Ga  Ga16  4  0.4952  0.3143  0.1824  1
  Ga  Ga17  2  0.1524  0.0000  0.7704  1
]