data_NpNiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69
_cell_length_b   4.22
_cell_length_c   7.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NpNiSn
_chemical_formula_sum   'Np4 Ni4 Sn4'
_cell_volume   235.7
_cell_formula_units_Z   4
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  0.01  0.17  0.0  1.0
  Np  Np5  1  0.17  0.17  0.63  1.0
  Np  Np6  1  0.52  0.06  0.63  1.0
  Np  Np7  1  0.68  0.06  0.26  1.0
  Ni  Ni0  1  0.39  0.06  0.9  1.0
  Ni  Ni1  1  0.24  0.06  0.73  1.0
  Ni  Ni2  1  0.45  0.17  0.53  1.0
  Ni  Ni3  1  0.3  0.17  0.36  1.0
  Sn  Sn8  1  0.49  0.06  0.55  1.0
  Sn  Sn9  1  0.65  0.06  0.08  1.0
  Sn  Sn10  1  0.04  0.17  0.17  1.0
  Sn  Sn11  1  0.2  0.17  0.71  1.0

data_NpNiSn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.22
_cell_length_b   7.26
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NpNiSn
_chemical_formula_sum   'Np4 Ni4 Sn4'
_cell_volume   235.7
_cell_formula_units_Z   4
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  0.06  0.5  0.82  1.0
  Np  Np1  2  0.06  0.87  0.67  1.0
  Ni  Ni2  2  0.06  0.23  0.95  1.0
  Ni  Ni3  2  0.06  0.4  0.11  1.0
  Sn  Sn4  2  0.06  0.05  0.7  1.0
  Sn  Sn5  2  0.06  0.58  0.85  1.0

Np Np Np Np Ni Ni Ni Ni Sn Sn Sn Sn