data_[Pr20In8Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.4234]
_cell_length_b [8.5740]
_cell_length_c [8.4861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pr5(InPb)2]
_chemical_formula_sum '[Pr20 In8 Pb8]'
_cell_volume [1194.9541]
_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  16  0.1398  0.1785  0.6724  1.0
  Pr  Pr1  4  0.0000  0.0000  0.0000  1.0
  In  In2  8  0.0000  0.1223  0.3785  1.0
  Pb  Pb3  8  0.2072  0.0000  0.0000  1.0
]