data_NbNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   158.21
_cell_angle_beta   149.0
_cell_angle_gamma   38.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNi4
_chemical_formula_sum   'Nb1 Ni4'
_cell_volume   57.84
_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
  Ni  Ni1  1  0.0  0.0  0.08  1.0
  Ni  Ni2  1  0.0  0.0  0.15  1.0
  Ni  Ni3  1  0.0  0.0  0.54  1.0
  Ni  Ni4  1  0.0  0.0  0.62  1.0

data_NbNi4
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.54
_cell_length_b   3.59
_cell_length_c   6.72
_cell_angle_alpha   105.5
_cell_angle_beta   100.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNi4
_chemical_formula_sum   'Nb1 Ni4'
_cell_volume   57.84
_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
  Ni  Ni1  1  0.38  0.38  0.38  1.0
  Ni  Ni2  1  0.46  0.46  0.46  1.0
  Ni  Ni3  1  0.85  0.85  0.85  1.0
  Ni  Ni4  1  0.92  0.92  0.92  1.0

Nb Ni Ni Ni Ni