data_[Th16Sn4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5001]
_cell_length_b [5.5587]
_cell_length_c [6.7864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0563]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th8Sn2Ru]
_chemical_formula_sum '[Th16 Sn4 Ru2]'
_cell_volume [659.6454]
_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  0.0046  0.0000  0.2404  1
  Th  Th1  4  0.0889  0.5000  0.7422  1
  Th  Th2  4  0.1414  0.5000  0.3080  1
  Th  Th3  4  0.2220  0.0000  0.1294  1
  Sn  Sn4  4  0.1712  0.0000  0.6148  1
  Ru  Ru5  2  0.0000  0.5000  0.0000  1
]