data_[Th8Sb6Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.3625]
_cell_length_b [6.3625]
_cell_length_c [12.7234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Th4Sb3Te]
_chemical_formula_sum '[Th8 Sb6 Te2]'
_cell_volume [515.0670]
_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  0.0000  0.0000  0.2519  1
  Th  Th1  4  0.0000  0.5000  0.0000  1
  Sb  Sb2  4  0.0000  0.5000  0.2500  1
  Sb  Sb3  2  0.0000  0.0000  0.5000  1
  Te  Te4  2  0.0000  0.0000  0.0000  1
]