data_Nb5Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68
_cell_length_b   4.38
_cell_length_c   10.16
_cell_angle_alpha   90.0
_cell_angle_beta   95.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Ni3
_chemical_formula_sum   'Nb5 Ni3'
_cell_volume   119.16
_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  0.89  0.19  0.27  1.0
  Nb  Nb2  1  0.79  0.0  0.53  1.0
  Nb  Nb3  1  0.0  0.19  0.8  1.0
  Nb  Nb4  1  0.79  0.19  0.33  1.0
  Ni  Ni5  1  0.89  0.0  0.06  1.0
  Ni  Ni6  1  0.0  0.0  0.59  1.0
  Ni  Ni7  1  0.89  0.19  0.86  1.0

data_Nb5Ni3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.38
_cell_length_c   10.16
_cell_angle_alpha   90.0
_cell_angle_beta   95.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Ni3
_chemical_formula_sum   'Nb5 Ni3'
_cell_volume   119.16
_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  0.0  0.19  0.8  1.0
  Nb  Nb2  1  0.79  0.0  0.53  1.0
  Nb  Nb3  1  0.79  0.19  0.33  1.0
  Nb  Nb4  1  0.89  0.19  0.27  1.0
  Ni  Ni5  1  0.0  0.0  0.59  1.0
  Ni  Ni6  1  0.89  0.0  0.06  1.0
  Ni  Ni7  1  0.89  0.19  0.86  1.0

Nb Nb Nb Nb Nb Ni Ni Ni