data_[Na4Cd12Sb8]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3154]
_cell_length_b [4.6949]
_cell_length_c [9.9680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3452]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaCd3Sb2]
_chemical_formula_sum '[Na4 Cd12 Sb8]'
_cell_volume [724.1456]
_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  4  0.1236  0.0000  0.1180  1.0
  Cd  Cd1  4  0.0094  0.0000  0.6511  1.0
  Cd  Cd2  4  0.1470  0.5000  0.5517  1.0
  Cd  Cd3  4  0.1493  0.5000  0.8860  1.0
  Sb  Sb4  4  0.0338  0.5000  0.2148  1.0
  Sb  Sb5  4  0.2136  0.0000  0.7742  1.0
]