data_[Th16Os4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Os  2.2000  1.3000  0.6730
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.6178]
_cell_length_b [13.2604]
_cell_length_c [7.3545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2448]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Th4OsRu2]
_chemical_formula_sum '[Th16 Os4 Ru8]'
_cell_volume [694.7330]
_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  0.0729  0.0452  0.7627  1
  Th  Th1  4  0.1096  0.4795  0.5992  1
  Th  Th2  4  0.3308  0.1932  0.2649  1
  Th  Th3  4  0.4714  0.2668  0.8476  1
  Ru  Ru4  4  0.2194  0.3378  0.9424  1
  Ru  Ru5  4  0.3191  0.0787  0.6253  1
  Os  Os6  4  0.3518  0.3820  0.4580  1
]