data_[Th16Os2Ru4]
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 [Cm]
_cell_length_a [8.0254]
_cell_length_b [13.4851]
_cell_length_c [6.3231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Th8OsRu2]
_chemical_formula_sum '[Th16 Os2 Ru4]'
_cell_volume [626.2499]
_cell_formula_units_Z [2]
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  0.2390  0.1312  0.5978  1
  Th  Th1  4  0.2735  0.3736  0.3612  1
  Th  Th2  4  0.4871  0.2982  0.9784  1
  Th  Th3  2  0.1525  0.5000  0.8048  1
  Th  Th4  2  0.3495  0.0000  0.1637  1
  Ru  Ru5  4  0.0122  0.3038  0.4754  1
  Os  Os6  2  0.0084  0.0000  0.2056  1
]