data_[Na36Cd18Sn6]
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 [R-3]
_cell_length_a [11.8998]
_cell_length_b [11.8998]
_cell_length_c [14.3492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na6Cd3Sn]
_chemical_formula_sum '[Na36 Cd18 Sn6]'
_cell_volume [1759.6968]
_cell_formula_units_Z [6]
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  18  0.0155  0.5718  0.2080  1.0
  Na  Na1  18  0.0287  0.8496  0.3109  1.0
  Cd  Cd2  18  0.0700  0.4787  0.5785  1.0
  Sn  Sn3  3  0.0000  0.0000  0.0000  1.0
  Sn  Sn4  3  0.0000  0.0000  0.5000  1.0
]