data_[Na12Cd8Ga20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.3729]
_cell_length_b [12.5434]
_cell_length_c [6.2356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Na3Cd2Ga5]
_chemical_formula_sum '[Na12 Cd8 Ga20]'
_cell_volume [967.7521]
_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
[
  Na  Na0  8  0.2286  0.3967  0.0000  1.0
  Na  Na1  4  0.0000  0.0000  0.2500  1.0
  Cd  Cd2  8  0.1609  0.1528  0.0000  1.0
  Ga  Ga3  8  0.0000  0.2508  0.2500  1.0
  Ga  Ga4  8  0.1241  0.3729  0.5000  1.0
  Ga  Ga5  4  0.0000  0.5000  0.2500  1.0
]