data_[Na9Pr3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pr  1.1300  1.8500  1.0600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.1369]
_cell_length_b [7.1369]
_cell_length_c [19.7818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na3PrCl6]
_chemical_formula_sum '[Na9 Pr3 Cl18]'
_cell_volume [872.5971]
_cell_formula_units_Z [3]
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
[
  Na  Na0  6  0.0000  0.0000  0.1932  1.0
  Na  Na1  3  -0.0000  0.0000  0.5000  1.0
  Pr  Pr2  3  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  18  0.0168  0.3108  0.0886  1.0
]