data_Np(WO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   6.44
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Np(WO2)2
_chemical_formula_sum   'Np2 W4 O8'
_cell_volume   189.29
_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
  Np  Np0  1  0.0  0.0  0.0  1.0
  Np  Np1  1  0.28  0.28  0.28  1.0
  W  W10  1  0.42  0.42  0.7  1.0
  W  W11  1  0.7  0.7  0.7  1.0
  W  W12  1  0.7  0.42  0.42  1.0
  W  W13  1  0.42  0.7  0.42  1.0
  O  O2  1  0.57  0.55  0.55  1.0
  O  O3  1  0.57  0.57  0.57  1.0
  O  O4  1  0.55  0.57  0.55  1.0
  O  O5  1  0.85  0.85  0.83  1.0
  O  O6  1  0.55  0.55  0.57  1.0
  O  O7  1  0.85  0.83  0.85  1.0
  O  O8  1  0.83  0.83  0.83  1.0
  O  O9  1  0.83  0.85  0.85  1.0

data_Np(WO2)2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   15.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Np(WO2)2
_chemical_formula_sum   'Np6 W12 O24'
_cell_volume   567.87
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Np  Np0  3  0.0  0.0  0.0  1.0
  Np  Np1  3  0.0  0.0  0.72  1.0
  W  W2  9  0.09  0.19  0.49  1.0
  W  W3  3  0.0  0.0  0.3  1.0
  O  O4  9  0.01  0.01  0.45  1.0
  O  O5  9  0.01  0.01  0.16  1.0
  O  O6  3  0.0  0.0  0.17  1.0
  O  O7  3  0.0  0.0  0.43  1.0

Np Np W W W W O O O O O O O O
Np Np W W W W O O O O O O O O 0 13 - - - 0 12 - - - 0 11 - - - 0 9 - - - 0 1 o o o 0 1 o o - 0 1 o - o 0 1 - o o 1 5 o - o 1 5 o o o 1 13 - - o 1 13 - o - 1 13 o - - 1 12 - - o 1 12 - o - 1 12 o - - 1 11 - - o 1 11 - o - 1 11 o - - 1 9 - - o 1 9 - o - 1 9 o - - 1 4 - o o 1 4 o o o 1 10 - o o 1 10 o - o 1 10 o o - 1 10 o o o 1 8 - o o 1 8 o - o 1 8 o o - 1 8 o o o 1 7 - o o 1 7 o - o 1 7 o o - 1 6 - o o 1 6 o - o 1 6 o o - 1 6 o o o 1 3 - o o 1 3 o - o 1 3 o o - 1 2 o o - 1 2 o o o 2 8 o o o 2 6 o o o 2 10 o o o 2 7 o o o 3 10 o o o 3 8 o o o 3 7 o o o 3 6 o o o 3 13 o o o 3 12 o o o 3 11 o o o 3 9 o o o 4 10 o o o 4 8 o o o 4 7 o o o 4 6 o o o 5 10 o o o 5 8 o o o 5 7 o o o 5 6 o o o 6 10 o o o 6 8 o o o 6 7 o o o 7 10 o o o 7 8 o o o 8 10 o o o 9 11 o o o 9 13 o o o 9 12 o o o 11 13 o o o 11 12 o o o 12 13 o o o 
Np(WO2)2 crystallizes in the trigonal R3m space group. There are two inequivalent Np sites. In the first Np site, Np(1) is bonded in a 9-coordinate geometry to three equivalent W(1), three equivalent W(2), and three equivalent O(3) atoms. All Np(1)-W(1) bond lengths are 3.88 Å. All Np(1)-W(2) bond lengths are 3.75 Å. All Np(1)-O(3) bond lengths are 2.54 Å. In the second Np site, Np(2) is bonded in a 3-coordinate geometry to three equivalent W(1) atoms. All Np(2)-W(1) bond lengths are 3.12 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a single-bond geometry to one Np(1), one Np(2), and one O(1) atom. The W(1)-O(1) bond length is 1.17 Å. In the second W site, W(2) is bonded in a linear geometry to three equivalent Np(1), one O(2), and one O(4) atom. The W(2)-O(2) bond length is 2.03 Å. The W(2)-O(4) bond length is 2.03 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one W(1), one O(2), and two equivalent O(1) atoms. The O(1)-O(2) bond length is 0.24 Å. Both O(1)-O(1) bond lengths are 0.14 Å. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one W(2) and three equivalent O(1) atoms. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Np(1), one O(4), and two equivalent O(3) atoms. The O(3)-O(4) bond length is 0.24 Å. Both O(3)-O(3) bond lengths are 0.14 Å. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one W(2) and three equivalent O(3) atoms.