data_[Pr2Np2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [5.6732]
_cell_length_b [10.3234]
_cell_length_c [5.4579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7843]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrNpO6]
_chemical_formula_sum '[Pr2 Np2 O12]'
_cell_volume [309.0696]
_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  0.5000  0.0000  1
  Np  Np1  2  0.0000  0.0000  0.5000  1
  O  O2  8  0.2409  0.1237  0.6693  1
  O  O3  4  0.1060  0.0000  0.1086  1
]