data_Np3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Np3F
_chemical_formula_sum   'Np6 F2'
_cell_volume   125.16
_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  Np2  1  0.0  0.58  0.7  1.0
  Np  Np3  1  0.34  0.9  0.7  1.0
  Np  Np4  1  0.66  0.9  0.7  1.0
  Np  Np5  1  0.71  0.11  0.23  1.0
  Np  Np6  1  0.37  0.79  0.23  1.0
  Np  Np7  1  0.05  0.79  0.23  1.0
  F  F0  1  0.0  0.12  0.23  1.0
  F  F1  1  0.71  0.56  0.7  1.0

data_Np3F
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.94
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Np3F
_chemical_formula_sum   'Np6 F2'
_cell_volume   125.16
_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
  Np  Np0  2  0.23  0.31  0.55  1.0
  Np  Np1  2  0.23  0.65  0.23  1.0
  Np  Np2  2  0.23  0.99  0.55  1.0
  F  F3  2  0.23  0.35  0.22  1.0

Np Np Np Np Np Np F F
Np Np Np Np Np Np F F 0 7 - o o 0 1 o o o 1 2 o o o 2 7 o o o 3 4 o - o 3 6 + o o 4 5 o o o 5 6 o + o 