data_[Na3Pr3In6Br18]
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
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.0508]
_cell_length_b [8.0508]
_cell_length_c [20.3510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaPr(InBr3)2]
_chemical_formula_sum '[Na3 Pr3 In6 Br18]'
_cell_volume [1142.3354]
_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  0.1849  1.0
  Pr  Pr1  3  0.0000  0.0000  0.6797  1.0
  In  In2  3  0.0000  0.0000  0.4711  1.0
  In  In3  3  0.0000  0.0000  0.9750  1.0
  Br  Br4  9  0.0755  0.7165  0.2550  1.0
  Br  Br5  9  0.0757  0.3403  0.7547  1.0
]