data_[Y12Ru4Pb4]
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 [Cmme]
_cell_length_a [6.3140]
_cell_length_b [10.5710]
_cell_length_c [8.2749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [Y3RuPb]
_chemical_formula_sum '[Y12 Ru4 Pb4]'
_cell_volume [552.3119]
_cell_formula_units_Z [4]
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  8  0.0000  0.0817  0.8311  1.0
  Y  Y1  4  0.0000  0.2500  0.2864  1.0
  Ru  Ru2  4  0.2500  0.2500  0.0000  1.0
  Pb  Pb3  4  0.2500  0.0000  0.5000  1.0
]