data_[Th2Cu2Te6Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7570]
_cell_length_b [4.3257]
_cell_length_c [11.6494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4791]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ThCuTe3Pb]
_chemical_formula_sum '[Th2 Cu2 Te6 Pb2]'
_cell_volume [413.3905]
_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  0.2905  0.7500  0.8446  1
  Cu  Cu1  2  0.0929  0.2500  0.6363  1
  Te  Te2  2  0.0352  0.2500  0.8384  1
  Te  Te3  2  0.2007  0.7500  0.5575  1
  Te  Te4  2  0.4327  0.7500  0.1370  1
  Pb  Pb5  2  0.4278  0.2500  0.3799  1
]