data_[Y6Ru2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ru  2.2000  1.3000  0.6610
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4255]
_cell_length_b [6.4523]
_cell_length_c [8.7179]
_cell_angle_alpha [97.4297]
_cell_angle_beta [99.3519]
_cell_angle_gamma [113.1242]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Y3RuPb]
_chemical_formula_sum '[Y6 Ru2 Pb2]'
_cell_volume [270.5925]
_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
[
  Y  Y0  2  0.0247  0.1207  0.7872  1.0
  Y  Y1  2  0.2899  0.7892  0.5933  1.0
  Y  Y2  2  0.3175  0.4795  0.2473  1.0
  Ru  Ru3  2  0.2401  0.2384  0.4997  1.0
  Pb  Pb4  2  0.3304  0.7357  0.9588  1.0
]