data_[Ce12Pr6Sb18]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [7.7595]
_cell_length_b [7.7595]
_cell_length_c [23.4682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Ce2PrSb3]
_chemical_formula_sum '[Ce12 Pr6 Sb18]'
_cell_volume [1223.7197]
_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
[
  Ce  Ce0  12  0.0000  0.0000  0.1661  1
  Pr  Pr1  6  0.0000  0.0000  0.0000  1
  Sb  Sb2  18  0.0000  0.3293  0.2500  1
]