data_[Pr2Pd4Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.5452]
_cell_length_b [8.6470]
_cell_length_c [7.5999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [PrPd2Pb3]
_chemical_formula_sum '[Pr2 Pd4 Pb6]'
_cell_volume [298.6912]
_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
[
  Pr  Pr0  2  0.5000  0.4339  0.5200  1
  Pd  Pd1  2  0.0000  0.3637  0.2346  1
  Pd  Pd2  2  0.5000  0.1464  0.7601  1
  Pb  Pb3  2  0.0000  0.0874  0.4886  1
  Pb  Pb4  2  0.0000  0.3203  0.8458  1
  Pb  Pb5  2  0.5000  0.1682  0.1510  1
]