data_[Th4Co8Si16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Co  1.8800  1.3500  0.7683
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [16.0628]
_cell_length_b [3.9845]
_cell_length_c [6.4693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Th(CoSi2)2]
_chemical_formula_sum '[Th4 Co8 Si16]'
_cell_volume [414.0530]
_cell_formula_units_Z [4]
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  0.1131  0.7500  0.5051  1
  Co  Co1  4  0.0388  0.2500  0.8303  1
  Co  Co2  4  0.2279  0.7500  0.0411  1
  Si  Si3  4  0.0374  0.2500  0.2166  1
  Si  Si4  4  0.0910  0.7500  0.9935  1
  Si  Si5  4  0.1880  0.2500  0.8371  1
  Si  Si6  4  0.2053  0.2500  0.2257  1
]