data_[Pr2Nb4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [10.2876]
_cell_length_b [3.9613]
_cell_length_c [7.3854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0743]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrNb2O6]
_chemical_formula_sum '[Pr2 Nb4 O12]'
_cell_volume [267.9893]
_cell_formula_units_Z [2]
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
[
  Pr  Pr0  2  0.0000  0.0000  0.5000  1.0
  Nb  Nb1  4  0.1794  0.0000  0.1183  1.0
  O  O2  4  0.0224  0.0000  0.1875  1.0
  O  O3  4  0.1542  0.5000  0.6160  1.0
  O  O4  4  0.2153  0.5000  0.0857  1.0
]