data_[Na1Pr1Nb4O12]
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
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6489]
_cell_length_b [5.6489]
_cell_length_c [8.0069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [NaPrNb4O12]
_chemical_formula_sum '[Na1 Pr1 Nb4 O12]'
_cell_volume [255.4978]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1.0
  Pr  Pr1  1  0.0000  0.0000  0.5000  1.0
  Nb  Nb2  4  0.0000  0.5000  0.2473  1.0
  O  O3  8  0.2415  0.2415  0.2623  1.0
  O  O4  2  0.0000  0.5000  0.0000  1.0
  O  O5  2  0.0000  0.5000  0.5000  1.0
]