data_[Na7Tl1Cd2]
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 [P3m1]
_cell_length_a [5.4645]
_cell_length_b [5.4645]
_cell_length_c [12.5983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Na7TlCd2]
_chemical_formula_sum '[Na7 Tl1 Cd2]'
_cell_volume [325.7946]
_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  0.3169  1.0
  Na  Na1  1  0.0000  0.0000  0.7408  1.0
  Na  Na2  1  0.3333  0.6667  0.5511  1.0
  Na  Na3  1  0.3333  0.6667  0.9828  1.0
  Na  Na4  1  0.6667  0.3333  0.1493  1.0
  Na  Na5  1  0.6667  0.3333  0.4056  1.0
  Na  Na6  1  0.6667  0.3333  0.8897  1.0
  Tl  Tl7  1  0.0000  0.0000  0.0467  1.0
  Cd  Cd8  1  0.3333  0.6667  0.2534  1.0
  Cd  Cd9  1  0.6667  0.3333  0.6471  1.0
]