data_[Ce4Pr6Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.5161]
_cell_length_b [9.5161]
_cell_length_c [6.5915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [Ce2(PrPb)3]
_chemical_formula_sum '[Ce4 Pr6 Pb6]'
_cell_volume [516.9360]
_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
[
  Ce  Ce0  4  0.3333  0.6667  0.0000  1.0
  Pr  Pr1  6  0.0000  0.2476  0.7500  1.0
  Pb  Pb2  6  0.0000  0.3901  0.2500  1.0
]