data_Np(NiGe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   138.81
_cell_angle_beta   138.81
_cell_angle_gamma   59.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Np(NiGe)2
_chemical_formula_sum   'Np1 Ni2 Ge2'
_cell_volume   81.31
_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  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.02  0.49  1.0
  Ni  Ni2  1  0.02  0.0  0.49  1.0
  Ge  Ge3  1  0.0  0.0  0.24  1.0
  Ge  Ge4  1  0.0  0.0  0.72  1.0

data_Np(NiGe)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   119.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Np(NiGe)2
_chemical_formula_sum   'Np2 Ni4 Ge4'
_cell_volume   162.63
_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  0.0  0.0  0.0  1.0
  Ni  Ni1  4  0.48  0.01  0.47  1.0
  Ge  Ge2  2  0.22  0.5  0.72  1.0
  Ge  Ge3  2  0.24  0.0  0.24  1.0

Np Ni Ni Ge Ge