data_[Ba4Pr2Np2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pr  1.1300  1.8500  1.0600
  Np  1.3600  1.7500  1.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2959]
_cell_length_b [6.3122]
_cell_length_c [10.8704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2PrNpO6]
_chemical_formula_sum '[Ba4 Pr2 Np2 O12]'
_cell_volume [353.2772]
_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
[
  Ba  Ba0  4  0.2421  0.5262  0.7498  1
  Pr  Pr1  2  0.5000  0.0000  0.0000  1
  Np  Np2  2  0.0000  0.0000  0.5000  1
  O  O3  4  0.1611  0.7317  0.4551  1
  O  O4  4  0.2245  0.2067  0.4590  1
  O  O5  4  0.3155  0.5207  0.2361  1
]