data_[Ba2Zr1Np1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zr  1.3300  1.5500  0.8600
  Np  1.3600  1.7500  1.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0718]
_cell_length_b [6.0829]
_cell_length_c [6.0894]
_cell_angle_alpha [60.1633]
_cell_angle_beta [60.5993]
_cell_angle_gamma [60.2426]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2ZrNpO6]
_chemical_formula_sum '[Ba2 Zr1 Np1 O6]'
_cell_volume [160.2326]
_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  2  0.2472  0.7493  0.2548  1
  Zr  Zr1  1  0.5000  0.0000  0.5000  1
  Np  Np2  1  0.0000  0.5000  0.0000  1
  O  O3  2  0.2123  0.8025  0.7131  1
  O  O4  2  0.2346  0.2836  0.7012  1
  O  O5  2  0.3238  0.2458  0.1925  1
]