data_Nb5Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Ni3
_chemical_formula_sum   'Nb5 Ni3'
_cell_volume   118.64
_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
  Nb  Nb0  1  0.0  0.59  0.5  1.0
  Nb  Nb1  1  0.38  0.2  0.5  1.0
  Nb  Nb2  1  0.62  0.2  0.5  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  Nb  Nb4  1  0.0  0.0  0.75  1.0
  Ni  Ni5  1  0.38  0.8  0.25  1.0
  Ni  Ni6  1  0.62  0.8  0.25  1.0
  Ni  Ni7  1  0.0  0.41  0.25  1.0

data_Nb5Ni3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Ni3
_chemical_formula_sum   'Nb5 Ni3'
_cell_volume   118.64
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.25  0.0  0.75  1.0
  Nb  Nb2  1  0.67  0.62  0.5  1.0
  Nb  Nb3  1  0.9  0.0  0.5  1.0
  Nb  Nb4  1  0.91  0.38  0.5  1.0
  Ni  Ni5  1  0.33  0.62  0.25  1.0
  Ni  Ni6  1  0.34  0.0  0.25  1.0
  Ni  Ni7  1  0.57  0.38  0.25  1.0

Nb Nb Nb Nb Nb Ni Ni Ni