data_Sc2ZnNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   147.56
_cell_angle_beta   131.7
_cell_angle_gamma   59.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ZnNi
_chemical_formula_sum   'Sc2 Zn1 Ni1'
_cell_volume   70.23
_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  0.3  0.36  1.0
  Sc  Sc2  1  0.0  0.0  0.37  1.0
  Zn  Zn3  1  0.0  0.3  0.49  1.0
  Ni  Ni0  1  0.0  0.0  0.41  1.0

data_Sc2ZnNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.59
_cell_length_c   5.61
_cell_angle_alpha   114.15
_cell_angle_beta   106.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ZnNi
_chemical_formula_sum   'Sc2 Zn1 Ni1'
_cell_volume   70.23
_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  0.37  0.37  1.0
  Sc  Sc1  1  0.7  0.06  0.06  1.0
  Zn  Zn2  1  0.7  0.19  0.19  1.0
  Ni  Ni3  1  0.0  0.41  0.41  1.0

Sc Sc Zn Ni