data_[Na6Tl12Cd2]
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 [P2_1/m]
_cell_length_a [9.2168]
_cell_length_b [5.4748]
_cell_length_c [12.1163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na3Tl6Cd]
_chemical_formula_sum '[Na6 Tl12 Cd2]'
_cell_volume [567.8274]
_cell_formula_units_Z [2]
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  2  0.1739  0.7500  0.6227  1
  Na  Na1  2  0.2039  0.2500  0.9776  1
  Na  Na2  2  0.4094  0.2500  0.7744  1
  Tl  Tl3  2  0.0031  0.2500  0.6732  1
  Tl  Tl4  2  0.0032  0.2500  0.1669  1
  Tl  Tl5  2  0.2026  0.7500  0.1386  1
  Tl  Tl6  2  0.2270  0.2500  0.4768  1
  Tl  Tl7  2  0.4003  0.7500  0.9286  1
  Tl  Tl8  2  0.4282  0.2500  0.2865  1
  Cd  Cd9  2  0.3861  0.7500  0.4257  1
]