data_Nb3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.73
_cell_length_b   8.73
_cell_length_c   8.73
_cell_angle_alpha   160.54
_cell_angle_beta   152.34
_cell_angle_gamma   34.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Ni5
_chemical_formula_sum   'Nb3 Ni5'
_cell_volume   102.69
_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  0.09  0.26  1.0
  Nb  Nb1  1  0.47  0.0  0.09  1.0
  Nb  Nb2  1  0.0  0.0  0.34  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ni  Ni4  1  0.0  0.0  0.17  1.0
  Ni  Ni5  1  0.47  0.0  0.26  1.0
  Ni  Ni6  1  0.0  0.09  0.09  1.0
  Ni  Ni7  1  0.0  0.0  0.52  1.0

data_Nb3Ni5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.17
_cell_length_c   8.73
_cell_angle_alpha   103.83
_cell_angle_beta   99.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Ni5
_chemical_formula_sum   'Nb3 Ni5'
_cell_volume   102.69
_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  0.09  0.61  1.0
  Nb  Nb1  1  0.0  0.34  0.34  1.0
  Nb  Nb2  1  0.91  0.17  0.17  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ni  Ni4  1  0.0  0.17  0.17  1.0
  Ni  Ni5  1  0.0  0.26  0.78  1.0
  Ni  Ni6  1  0.0  0.52  0.52  1.0
  Ni  Ni7  1  0.91  0.0  0.0  1.0

Nb Nb Nb Ni Ni Ni Ni Ni