data_ScAlNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.34
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAlNi2
_chemical_formula_sum   'Sc1 Al1 Ni2'
_cell_volume   57.57
_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
  Sc  Sc3  1  0.57  0.67  0.55  1.0
  Al  Al0  1  0.0  0.0  0.44  1.0
  Ni  Ni1  1  0.57  0.67  0.4  1.0
  Ni  Ni2  1  0.0  0.0  0.38  1.0

data_ScAlNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   3.34
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAlNi2
_chemical_formula_sum   'Sc1 Al1 Ni2'
_cell_volume   57.57
_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
  Sc  Sc0  1  0.57  0.67  0.55  1.0
  Al  Al1  1  0.0  0.0  0.44  1.0
  Ni  Ni2  1  0.0  0.0  0.38  1.0
  Ni  Ni3  1  0.57  0.67  0.4  1.0

Sc Al Ni Ni
Sc Al Ni Ni 0 2 o o o 1 3 o o o 