data_[Th8In2Te10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4725]
_cell_length_b [4.4862]
_cell_length_c [8.9828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4304]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th4InTe5]
_chemical_formula_sum '[Th8 In2 Te10]'
_cell_volume [763.2588]
_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  4  0.0019  0.0000  0.2495  1
  Th  Th1  4  0.1663  0.5000  0.0939  1
  In  In2  2  0.0000  0.5000  0.0000  1
  Te  Te3  4  0.1668  0.0000  0.8361  1
  Te  Te4  4  0.1681  0.0000  0.3365  1
  Te  Te5  2  0.0000  0.5000  0.5000  1
]