data_ScNbNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   5.81
_cell_angle_alpha   96.31
_cell_angle_beta   96.31
_cell_angle_gamma   38.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNbNi2
_chemical_formula_sum   'Sc1 Nb1 Ni2'
_cell_volume   63.64
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Nb  Nb0  1  0.62  0.0  0.89  1.0
  Ni  Ni1  1  0.53  0.0  0.18  1.0
  Ni  Ni2  1  0.7  0.0  0.6  1.0

data_ScNbNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.19
_cell_length_c   5.81
_cell_angle_alpha   96.31
_cell_angle_beta   90.0
_cell_angle_gamma   109.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNbNi2
_chemical_formula_sum   'Sc1 Nb1 Ni2'
_cell_volume   63.64
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.38  0.11  1.0
  Ni  Ni2  1  0.0  0.3  0.4  1.0
  Ni  Ni3  1  0.0  0.47  0.82  1.0

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