data_[Pr16Sb2Pb10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.7582]
_cell_length_b [9.7582]
_cell_length_c [9.7423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Pr8SbPb5]
_chemical_formula_sum '[Pr16 Sb2 Pb10]'
_cell_volume [927.6752]
_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  8  0.0690  0.6797  0.4459  1
  Pr  Pr1  8  0.0704  0.8172  0.8053  1
  Sb  Sb2  2  0.0000  0.5000  0.7500  1
  Pb  Pb3  8  0.1248  0.7508  0.1256  1
  Pb  Pb4  2  0.0000  0.0000  0.5000  1
]