data_[Pr2Pd8Pb12]
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 [Cm]
_cell_length_a [10.3504]
_cell_length_b [10.4108]
_cell_length_c [7.2835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.6692]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Pr(Pd2Pb3)2]
_chemical_formula_sum '[Pr2 Pd8 Pb12]'
_cell_volume [558.1636]
_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  0.4975  0.5000  0.9991  1.0
  Pd  Pd1  4  0.0670  0.3185  0.1372  1.0
  Pd  Pd2  2  0.1140  0.5000  0.8705  1.0
  Pd  Pd3  2  0.2544  0.0000  0.8627  1.0
  Pb  Pb4  4  0.2473  0.2495  0.9958  1.0
  Pb  Pb5  4  0.2907  0.1680  0.5750  1.0
  Pb  Pb6  2  0.0429  0.5000  0.4240  1.0
  Pb  Pb7  2  0.3808  0.5000  0.4277  1.0
]