data_ScNbNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.69
_cell_angle_alpha   100.05
_cell_angle_beta   100.05
_cell_angle_gamma   33.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNbNi2
_chemical_formula_sum   'Sc1 Nb1 Ni2'
_cell_volume   59.7
_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  0.25  0.0  0.57  1.0
  Nb  Nb0  1  0.6  0.0  0.86  1.0
  Ni  Ni1  1  0.05  0.0  0.17  1.0
  Ni  Ni2  1  0.84  0.0  0.32  1.0

data_ScNbNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.69
_cell_length_c   4.82
_cell_angle_alpha   100.05
_cell_angle_beta   106.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNbNi2
_chemical_formula_sum   'Sc1 Nb1 Ni2'
_cell_volume   59.7
_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  0.57  0.25  1.0
  Nb  Nb1  1  0.0  0.86  0.6  1.0
  Ni  Ni2  1  0.0  0.17  0.05  1.0
  Ni  Ni3  1  0.0  0.32  0.84  1.0

Sc Nb Ni Ni