data_[Th24Si8]
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 [P4_2/n]
_cell_length_a [12.2676]
_cell_length_b [12.2676]
_cell_length_c [6.0442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [86]
_chemical_formula_structural [Th3Si]
_chemical_formula_sum '[Th24 Si8]'
_cell_volume [909.6189]
_cell_formula_units_Z [8]
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  0.0275  0.8639  0.7278  1
  Th  Th1  8  0.0841  0.3890  0.4754  1
  Th  Th2  8  0.1770  0.2833  0.9937  1
  Si  Si3  8  0.0429  0.7958  0.2187  1
]