data_[Pr6Pd6Pb6]
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 [Pmma]
_cell_length_a [14.5046]
_cell_length_b [3.9481]
_cell_length_c [7.9829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [PrPdPb]
_chemical_formula_sum '[Pr6 Pd6 Pb6]'
_cell_volume [457.1375]
_cell_formula_units_Z [6]
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  4  0.0497  0.0000  0.7707  1.0
  Pr  Pr1  2  0.2500  0.0000  0.1608  1.0
  Pd  Pd2  4  0.0927  0.5000  0.0655  1.0
  Pd  Pd3  2  0.2500  0.0000  0.5626  1.0
  Pb  Pb4  4  0.1208  0.5000  0.4335  1.0
  Pb  Pb5  2  0.2500  0.5000  0.8194  1.0
]