data_[Cd6Ga22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3096]
_cell_length_b [8.9244]
_cell_length_c [5.7494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9024]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd3Ga11]
_chemical_formula_sum '[Cd6 Ga22]'
_cell_volume [580.2190]
_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  4  0.2242  0.5000  0.7382  1
  Cd  Cd1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  8  0.1359  0.2627  0.1209  1
  Ga  Ga3  8  0.1597  0.1542  0.6510  1
  Ga  Ga4  4  0.0000  0.3526  0.5000  1
  Ga  Ga5  2  0.0000  0.5000  0.0000  1
]