data_[Th12Ru2Pt10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ru  2.2000  1.3000  0.6610
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2501]
_cell_length_b [12.5371]
_cell_length_c [7.2261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6RuPt5]
_chemical_formula_sum '[Th12 Ru2 Pt10]'
_cell_volume [619.2494]
_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  8  0.2423  0.1616  0.2428  1
  Th  Th1  4  0.2405  0.0000  0.7527  1
  Ru  Ru2  2  0.0000  0.0000  0.0000  1
  Pt  Pt3  4  0.0000  0.1713  0.5000  1
  Pt  Pt4  4  0.0000  0.3342  0.0000  1
  Pt  Pt5  2  0.0000  0.5000  0.5000  1
]