data_NbGa2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   4.85
_cell_angle_alpha   116.32
_cell_angle_beta   116.32
_cell_angle_gamma   31.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGa2Ni
_chemical_formula_sum   'Nb1 Ga2 Ni1'
_cell_volume   60.57
_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  Nb2  1  0.86  0.0  0.15  1.0
  Ga  Ga0  1  0.71  0.0  0.97  1.0
  Ga  Ga1  1  0.01  0.0  0.33  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_NbGa2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.85
_cell_length_c   5.18
_cell_angle_alpha   116.32
_cell_angle_beta   105.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGa2Ni
_chemical_formula_sum   'Nb1 Ga2 Ni1'
_cell_volume   60.57
_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  0.15  0.86  1.0
  Ga  Ga1  1  0.0  0.33  0.01  1.0
  Ga  Ga2  1  0.0  0.97  0.71  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Nb Ga Ga Ni
Nb Ga Ga Ni 0 1 o o - 0 2 + o o 0 3 + o o 1 3 + o + 