data_[Na3Li6Pr3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2080]
_cell_length_b [7.2080]
_cell_length_c [19.6386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaLi2PrBr6]
_chemical_formula_sum '[Na3 Li6 Pr3 Br18]'
_cell_volume [883.6410]
_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  3  0.0000  0.0000  0.8120  1.0
  Li  Li1  3  0.0000  0.0000  0.0126  1.0
  Li  Li2  3  0.0000  0.0000  0.5131  1.0
  Pr  Pr3  3  0.0000  0.0000  0.3182  1.0
  Br  Br4  9  0.0314  0.3421  0.5843  1.0
  Br  Br5  9  0.0456  0.7035  0.0839  1.0
]