data_[Th2Tl6Te12Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0706]
_cell_length_b [13.9515]
_cell_length_c [8.2535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0176]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ThTl3(Te3Pb)2]
_chemical_formula_sum '[Th2 Tl6 Te12 Pb4]'
_cell_volume [878.6006]
_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
[
  Th  Th0  2  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.0000  0.1690  0.5000  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Te  Te3  8  0.2362  0.1606  0.2278  1
  Te  Te4  4  0.2414  0.0000  0.7668  1
  Pb  Pb5  4  0.0000  0.3345  0.0000  1
]