data_[Th4Ge16Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ge  2.0100  1.2500  0.7700
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [17.4802]
_cell_length_b [4.2977]
_cell_length_c [6.7342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Th(Ge2Os)2]
_chemical_formula_sum '[Th4 Ge16 Os8]'
_cell_volume [505.9001]
_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  0.1419  0.7500  0.4853  1
  Ge  Ge1  4  0.0303  0.2500  0.3592  1
  Ge  Ge2  4  0.0666  0.7500  0.9812  1
  Ge  Ge3  4  0.1839  0.2500  0.7901  1
  Ge  Ge4  4  0.1926  0.2500  0.2057  1
  Os  Os5  4  0.0351  0.2500  0.7468  1
  Os  Os6  4  0.2123  0.7500  0.0028  1
]