data_[Th8Si2Sb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Si  1.9000  1.1000  0.5400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.7533]
_cell_length_b [8.8814]
_cell_length_c [7.6785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2990]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Th4SiSb3]
_chemical_formula_sum '[Th8 Si2 Sb6]'
_cell_volume [499.0281]
_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  0.2275  0.1146  0.0014  1
  Th  Th1  4  0.2387  0.3604  0.4865  1
  Si  Si2  2  0.0000  0.1237  0.2500  1
  Sb  Sb3  2  0.0000  0.3767  0.7500  1
  Sb  Sb4  2  0.5000  0.1245  0.7500  1
  Sb  Sb5  2  0.5000  0.3777  0.2500  1
]