data_[Na8Pr4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.7844]
_cell_length_b [9.1140]
_cell_length_c [13.3359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Na2PrBr4]
_chemical_formula_sum '[Na8 Pr4 Br16]'
_cell_volume [946.1504]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.5000  1.0
  Na  Na1  4  0.0000  0.2500  0.1280  1.0
  Pr  Pr2  4  0.2500  0.2500  0.7500  1.0
  Br  Br3  8  0.0000  0.0108  0.2700  1.0
  Br  Br4  8  0.2462  0.2500  0.5260  1.0
]