data_ZrNpO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   54.01
_cell_angle_beta   54.01
_cell_angle_gamma   54.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNpO3
_chemical_formula_sum   'Zr2 Np2 O6'
_cell_volume   139.05
_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
  Zr  Zr8  1  0.0  0.0  0.18  1.0
  Zr  Zr9  1  0.0  0.0  0.44  1.0
  Np  Np0  1  0.0  0.0  0.72  1.0
  Np  Np1  1  0.0  0.0  0.9  1.0
  O  O2  1  0.86  0.07  0.98  1.0
  O  O3  1  0.5  0.45  0.98  1.0
  O  O4  1  0.64  0.48  0.98  1.0
  O  O5  1  0.36  0.52  0.64  1.0
  O  O6  1  0.5  0.55  0.64  1.0
  O  O7  1  0.14  0.93  0.64  1.0

data_ZrNpO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   6.11
_cell_angle_alpha   63.0
_cell_angle_beta   63.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZrNpO3
_chemical_formula_sum   'Zr2 Np2 O6'
_cell_volume   139.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Zr  Zr0  2  0.0  0.37  0.13  1.0
  Np  Np1  2  0.0  0.09  0.41  1.0
  O  O2  2  0.07  0.17  0.4  1.0
  O  O3  2  0.45  0.17  0.38  1.0
  O  O4  2  0.48  0.17  0.21  1.0

Zr Zr Np Np O O O O O O