data_ScZn2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   4.36
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   102.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn2Ni
_chemical_formula_sum   'Sc1 Zn2 Ni1'
_cell_volume   62.15
_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
  Zn  Zn2  1  0.53  0.18  0.36  1.0
  Zn  Zn3  1  0.22  0.18  0.58  1.0
  Ni  Ni0  1  0.88  0.0  0.47  1.0

data_ScZn2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.36
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   102.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZn2Ni
_chemical_formula_sum   'Sc1 Zn2 Ni1'
_cell_volume   62.15
_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
  Zn  Zn1  1  0.22  0.18  0.58  1.0
  Zn  Zn2  1  0.53  0.18  0.36  1.0
  Ni  Ni3  1  0.88  0.0  0.47  1.0

Sc Zn Zn Ni