data_ScSi2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   3.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSi2Ni
_chemical_formula_sum   'Sc1 Si2 Ni1'
_cell_volume   55.29
_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  Sc1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.25  0.58  0.76  1.0
  Si  Si3  1  0.25  0.42  0.76  1.0
  Ni  Ni0  1  0.49  0.0  0.0  1.0

data_ScSi2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.02
_cell_length_c   4.02
_cell_angle_alpha   103.32
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSi2Ni
_chemical_formula_sum   'Sc1 Si2 Ni1'
_cell_volume   55.29
_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
  Si  Si1  1  0.76  0.25  0.42  1.0
  Si  Si2  1  0.76  0.25  0.58  1.0
  Ni  Ni3  1  0.0  0.49  0.0  1.0

Sc Si Si Ni