data_[Na6Th4Tl2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Th  1.3000  1.8000  1.0800
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.8676]
_cell_length_b [4.5965]
_cell_length_c [9.4534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1622]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Th2TlTe6]
_chemical_formula_sum '[Na6 Th4 Tl2 Te12]'
_cell_volume [846.9644]
_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  4  0.1556  0.0000  0.8389  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  Th  Th2  4  0.1616  0.0000  0.3322  1
  Tl  Tl3  2  0.0000  0.5000  0.0000  1
  Te  Te4  4  0.0083  0.0000  0.2692  1
  Te  Te5  4  0.1721  0.5000  0.5725  1
  Te  Te6  4  0.1765  0.5000  0.1128  1
]