data_Nb7Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06
_cell_length_b   7.06
_cell_length_c   2.81
_cell_angle_alpha   97.61
_cell_angle_beta   97.61
_cell_angle_gamma   80.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb7Ni
_chemical_formula_sum   'Nb7 Ni1'
_cell_volume   136.05
_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  0.35  0.71  0.07  1.0
  Nb  Nb1  1  0.82  0.0  0.38  1.0
  Nb  Nb2  1  0.91  0.71  0.69  1.0
  Nb  Nb3  1  0.37  0.0  0.0  1.0
  Nb  Nb4  1  0.35  0.29  0.07  1.0
  Nb  Nb5  1  0.44  0.0  0.38  1.0
  Nb  Nb6  1  0.91  0.29  0.69  1.0
  Ni  Ni7  1  0.0  0.0  0.0  1.0

data_Nb7Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   7.06
_cell_length_c   7.06
_cell_angle_alpha   80.92
_cell_angle_beta   82.39
_cell_angle_gamma   82.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb7Ni
_chemical_formula_sum   'Nb7 Ni1'
_cell_volume   136.05
_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  0.63  0.0  1.0
  Nb  Nb1  1  0.07  0.65  0.29  1.0
  Nb  Nb2  1  0.07  0.65  0.71  1.0
  Nb  Nb3  1  0.38  0.18  0.0  1.0
  Nb  Nb4  1  0.38  0.56  0.0  1.0
  Nb  Nb5  1  0.69  0.09  0.29  1.0
  Nb  Nb6  1  0.69  0.09  0.71  1.0
  Ni  Ni7  1  0.0  0.0  0.0  1.0

Nb Nb Nb Nb Nb Nb Nb Ni