data_[Y2Pb2]
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_1/m]
_cell_length_a [3.8883]
_cell_length_b [5.1101]
_cell_length_c [6.1985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YPb]
_chemical_formula_sum '[Y2 Pb2]'
_cell_volume [118.9332]
_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  0.4420  0.7500  0.2452  1.0
  Pb  Pb1  2  0.0348  0.7500  0.7305  1.0
]