data_[Na12Cd12Sn8]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.6327]
_cell_length_b [17.4791]
_cell_length_c [6.0939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Na3Cd3Sn2]
_chemical_formula_sum '[Na12 Cd12 Sn8]'
_cell_volume [919.5179]
_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  0.0336  0.6115  0.6144  1
  Na  Na1  4  0.1691  0.7500  0.1352  1
  Cd  Cd2  8  0.1836  0.5286  0.1056  1
  Cd  Cd3  4  0.1883  0.2500  0.1536  1
  Sn  Sn4  8  0.1122  0.1154  0.8859  1
]