data_[Y2Pd4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.8040]
_cell_length_b [4.9181]
_cell_length_c [10.0578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Y(PdPb)2]
_chemical_formula_sum '[Y2 Pd4 Pb4]'
_cell_volume [237.6302]
_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  0.0000  0.5000  0.3251  1
  Pd  Pd1  2  0.0000  0.0000  0.1705  1
  Pd  Pd2  2  0.0000  0.0000  0.5066  1
  Pb  Pb3  2  0.0000  0.5000  0.6649  1
  Pb  Pb4  2  0.0000  0.5000  0.9931  1
]