data_ZnCuNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   2.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCuNi2
_chemical_formula_sum   'Zn1 Cu1 Ni2'
_cell_volume   46.42
_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
  Zn  Zn3  1  0.61  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.31  0.69  0.31  1.0
  Ni  Ni2  1  0.31  0.31  0.31  1.0

data_ZnCuNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   4.27
_cell_length_c   4.27
_cell_angle_alpha   104.71
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCuNi2
_chemical_formula_sum   'Zn1 Cu1 Ni2'
_cell_volume   46.42
_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
  Zn  Zn0  1  -0.0  0.61  0.0  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.31  0.31  0.31  1.0
  Ni  Ni3  1  0.31  0.31  0.69  1.0

Zn Cu Ni Ni
Zn Cu Ni Ni 0 2 o - o 0 1 + o o 1 3 o o o 2 3 o o o 