data_NpCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06
_cell_length_b   7.06
_cell_length_c   3.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NpCl2
_chemical_formula_sum   'Np2 Cl4'
_cell_volume   172.56
_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  Np4  1  0.0  0.0  0.0  1.0
  Np  Np5  1  0.53  0.53  0.73  1.0
  Cl  Cl0  1  0.96  0.96  0.0  1.0
  Cl  Cl1  1  0.1  0.1  0.0  1.0
  Cl  Cl2  1  0.49  0.57  0.73  1.0
  Cl  Cl3  1  0.57  0.49  0.73  1.0

data_NpCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   9.98
_cell_length_b   9.98
_cell_length_c   3.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NpCl2
_chemical_formula_sum   'Np4 Cl8'
_cell_volume   345.11
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Np  Np1  2  0.03  0.5  0.73  1.0
  Cl  Cl2  4  0.03  0.46  0.73  1.0
  Cl  Cl3  2  0.1  0.0  0.0  1.0
  Cl  Cl4  2  0.46  0.5  0.0  1.0

Np Np Cl Cl Cl Cl