data_[Th10Si8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0403]
_cell_length_b [4.4274]
_cell_length_c [9.9413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6509]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th5Si4]
_chemical_formula_sum '[Th10 Si8]'
_cell_volume [451.6492]
_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  0.1051  0.0000  0.3923  1
  Th  Th1  4  0.2495  0.5000  0.1652  1
  Th  Th2  2  0.0000  0.0000  0.0000  1
  Si  Si3  4  0.0472  0.5000  0.8254  1
  Si  Si4  4  0.1115  0.5000  0.6095  1
]