data_[Y8Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.3678]
_cell_length_b [6.4882]
_cell_length_c [11.3958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [YPb]
_chemical_formula_sum '[Y8 Pb8]'
_cell_volume [470.8194]
_cell_formula_units_Z [8]
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  4  0.0967  0.8874  0.2797  1.0
  Y  Y1  4  0.1677  0.6340  0.9596  1.0
  Pb  Pb2  4  0.0886  0.4752  0.7047  1.0
  Pb  Pb3  4  0.1828  0.1237  0.0349  1.0
]