data_Np3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   133.3
_cell_angle_beta   133.3
_cell_angle_gamma   68.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Np3Au
_chemical_formula_sum   'Np3 Au1'
_cell_volume   86.15
_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
  Np  Np1  1  0.0  0.18  0.27  1.0
  Np  Np2  1  0.18  0.0  0.27  1.0
  Np  Np3  1  0.0  0.0  0.55  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Np3Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   124.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Np3Au
_chemical_formula_sum   'Np6 Au2'
_cell_volume   172.29
_cell_formula_units_Z   2
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  4  0.41  0.41  0.1  1.0
  Np  Np1  2  0.0  0.0  0.55  1.0
  Au  Au2  2  0.0  0.0  0.0  1.0

Np Np Np Au
Np Np Np Au 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o + 