data_NpAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NpAu3
_chemical_formula_sum   'Np2 Au6'
_cell_volume   165.76
_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  Np6  1  0.13  0.81  0.66  1.0
  Np  Np7  1  0.0  0.61  0.22  1.0
  Au  Au0  1  0.63  0.55  0.66  1.0
  Au  Au1  1  0.37  0.55  0.66  1.0
  Au  Au2  1  0.0  0.74  0.66  1.0
  Au  Au3  1  0.76  0.87  0.22  1.0
  Au  Au4  1  0.5  0.87  0.22  1.0
  Au  Au5  1  0.13  0.69  0.22  1.0

data_NpAu3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.88
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NpAu3
_chemical_formula_sum   'Np2 Au6'
_cell_volume   165.76
_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  0.22  0.07  0.6  1.0
  Au  Au1  2  0.22  0.31  0.34  1.0
  Au  Au2  2  0.22  0.56  0.34  1.0
  Au  Au3  2  0.22  0.93  0.52  1.0

Np Np Au Au Au Au Au Au