data_[Th4Si8Os4]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9673]
_cell_length_b [4.2139]
_cell_length_c [10.1846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ThSi2Os]
_chemical_formula_sum '[Th4 Si8 Os4]'
_cell_volume [299.0147]
_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  0.1593  0.7500  0.8731  1
  Si  Si1  4  0.1515  0.7500  0.1785  1
  Si  Si2  4  0.1883  0.7500  0.5810  1
  Os  Os3  4  0.0060  0.2500  0.6130  1
]