data_Nb2Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   37.86
_cell_angle_beta   37.86
_cell_angle_gamma   37.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Ni5
_chemical_formula_sum   'Nb2 Ni5'
_cell_volume   85.36
_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  0.02  1.0
  Nb  Nb1  1  0.0  0.0  0.56  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.53  1.0
  Ni  Ni4  1  0.0  0.0  0.51  1.0
  Ni  Ni5  1  0.0  0.0  0.07  1.0
  Ni  Ni6  1  0.0  0.0  0.05  1.0

data_Nb2Ni5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.1
_cell_length_b   4.1
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   112.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2Ni5
_chemical_formula_sum   'Nb4 Ni10'
_cell_volume   170.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.44  1.0
  Nb  Nb1  2  0.0  0.0  0.98  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0
  Ni  Ni3  2  0.0  0.0  0.47  1.0
  Ni  Ni4  2  0.0  0.0  0.49  1.0
  Ni  Ni5  2  0.0  0.0  0.93  1.0
  Ni  Ni6  2  0.0  0.0  0.95  1.0

Nb Nb Ni Ni Ni Ni Ni