data_[Na1Tl5Cd5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.7370]
_cell_length_b [5.7370]
_cell_length_c [11.1213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Na(TlCd)5]
_chemical_formula_sum '[Na1 Tl5 Cd5]'
_cell_volume [317.0030]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  2  0.0000  0.0000  0.3172  1.0
  Tl  Tl2  2  0.3333  0.6667  0.8406  1.0
  Tl  Tl3  1  0.6667  0.3333  0.0000  1.0
  Cd  Cd4  3  0.0025  0.5013  0.5000  1.0
  Cd  Cd5  2  0.6667  0.3333  0.7378  1.0
]