data_NpZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NpZn
_chemical_formula_sum   'Np1 Zn1'
_cell_volume   35.29
_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  Np0  1  0.0  0.61  0.63  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0

data_NpZn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.78
_cell_length_b   4.82
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NpZn
_chemical_formula_sum   'Np2 Zn2'
_cell_volume   70.59
_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  2  0.11  0.5  0.63  1.0
  Zn  Zn1  2  0.5  0.5  0.0  1.0

Np Zn
Np Zn 0 0 + + o 0 0 o + o 0 0 + o o 0 1 o + + 0 1 o o + 1 1 + + o 1 1 o + o 1 1 + o o 