data_[Y2Pb10]
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 [Cm]
_cell_length_a [12.7793]
_cell_length_b [3.5552]
_cell_length_c [8.4270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [YPb5]
_chemical_formula_sum '[Y2 Pb10]'
_cell_volume [366.8582]
_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  0.2767  0.0000  0.0509  1.0
  Pb  Pb1  2  0.1132  0.5000  0.7323  1.0
  Pb  Pb2  2  0.1697  0.5000  0.3251  1.0
  Pb  Pb3  2  0.3334  0.0000  0.6683  1.0
  Pb  Pb4  2  0.4436  0.5000  0.3871  1.0
  Pb  Pb5  2  0.4968  0.5000  0.0026  1.0
]