data_ZnCr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr2Ni
_chemical_formula_sum   'Zn1 Cr2 Ni1'
_cell_volume   48.2
_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  0.46  0.46  0.18  1.0
  Cr  Cr0  1  0.0  0.0  0.14  1.0
  Cr  Cr1  1  0.46  0.46  0.31  1.0
  Ni  Ni2  1  0.0  0.0  0.81  1.0

data_ZnCr2Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnCr2Ni
_chemical_formula_sum   'Zn2 Cr4 Ni2'
_cell_volume   96.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.46  0.0  0.18  1.0
  Cr  Cr1  2  0.0  0.0  0.14  1.0
  Cr  Cr2  2  0.46  0.0  0.31  1.0
  Ni  Ni3  2  0.0  0.0  0.81  1.0

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