data_[Th12Bi2Te10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7012]
_cell_length_b [13.7565]
_cell_length_c [7.7320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4603]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6BiTe5]
_chemical_formula_sum '[Th12 Bi2 Te10]'
_cell_volume [767.4727]
_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  8  0.2367  0.3301  0.7365  1
  Th  Th1  4  0.2268  0.5000  0.2345  1
  Bi  Bi2  2  0.0000  0.0000  0.0000  1
  Te  Te3  4  0.0000  0.1543  0.5000  1
  Te  Te4  4  0.0000  0.3249  0.0000  1
  Te  Te5  2  0.0000  0.5000  0.5000  1
]