data_[Sn12Pd6Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0253]
_cell_length_b [6.6684]
_cell_length_c [10.7259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sn6Pd3Ru]
_chemical_formula_sum '[Sn12 Pd6 Ru2]'
_cell_volume [436.5521]
_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
[
  Sn  Sn0  4  0.1018  0.1524  0.4294  1
  Sn  Sn1  4  0.2416  0.6650  0.3978  1
  Sn  Sn2  4  0.4045  0.5207  0.7240  1
  Pd  Pd3  4  0.2014  0.1644  0.7223  1
  Ru  Ru4  2  0.0000  0.0000  0.0000  1
  Pd  Pd5  2  0.5000  0.0000  0.5000  1
]