data_NbNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   5.38
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNi
_chemical_formula_sum   'Nb4 Ni4'
_cell_volume   110.11
_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
  Nb  Nb0  1  0.2  0.34  0.0  1.0
  Nb  Nb1  1  0.2  0.04  0.0  1.0
  Nb  Nb2  1  0.2  0.0  0.33  1.0
  Nb  Nb3  1  0.0  0.69  0.78  1.0
  Ni  Ni4  1  0.2  0.69  0.33  1.0
  Ni  Ni5  1  0.0  0.35  0.11  1.0
  Ni  Ni6  1  0.0  0.03  0.11  1.0
  Ni  Ni7  1  0.0  0.0  0.78  1.0

data_NbNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.66
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNi
_chemical_formula_sum   'Nb4 Ni4'
_cell_volume   110.11
_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
  Nb  Nb0  1  0.0  0.22  0.31  1.0
  Nb  Nb1  1  0.8  0.0  0.66  1.0
  Nb  Nb2  1  0.8  0.0  0.96  1.0
  Nb  Nb3  1  0.8  0.67  0.0  1.0
  Ni  Ni4  1  0.0  0.22  0.0  1.0
  Ni  Ni5  1  0.0  0.89  0.65  1.0
  Ni  Ni6  1  0.0  0.89  0.97  1.0
  Ni  Ni7  1  0.8  0.67  0.31  1.0

Nb Nb Nb Nb Ni Ni Ni Ni