data_[Pr12Rh8Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Rh  2.2800  1.3500  0.7450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.7345]
_cell_length_b [11.3458]
_cell_length_c [15.6743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3Rh2Pb3]
_chemical_formula_sum '[Pr12 Rh8 Pb12]'
_cell_volume [841.9716]
_cell_formula_units_Z [4]
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  8  0.0000  0.0718  0.6116  1.0
  Pr  Pr1  4  0.0000  0.3472  0.7500  1.0
  Rh  Rh2  8  0.0000  0.1979  0.1125  1.0
  Pb  Pb3  8  0.0000  0.3629  0.5324  1.0
  Pb  Pb4  4  0.0000  0.3595  0.2500  1.0
]