data_[Y18Ru6Pb6]
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 [R-3c]
_cell_length_a [7.6194]
_cell_length_b [7.6194]
_cell_length_c [17.5224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Y3RuPb]
_chemical_formula_sum '[Y18 Ru6 Pb6]'
_cell_volume [880.9750]
_cell_formula_units_Z [6]
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  18  0.0000  0.4225  0.2500  1
  Ru  Ru1  6  0.0000  0.0000  0.0000  1
  Pb  Pb2  6  0.0000  0.0000  0.2500  1
]