data_[Ba1Pr2Np1O8]
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/m]
_cell_length_a [4.2219]
_cell_length_b [8.0537]
_cell_length_c [5.5375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaPr2NpO8]
_chemical_formula_sum '[Ba1 Pr2 Np1 O8]'
_cell_volume [187.1853]
_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
[
  Ba  Ba0  1  0.0000  0.5000  0.0000  1
  Pr  Pr1  2  0.5000  0.2342  0.5000  1
  Np  Np2  1  0.0000  0.0000  0.0000  1
  O  O3  4  0.0447  0.1958  0.7648  1
  O  O4  2  0.4305  0.0000  0.2170  1
  O  O5  2  0.4695  0.5000  0.6989  1
]