data_ZnNiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   3.18
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   98.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNiCl2
_chemical_formula_sum   'Zn1 Ni1 Cl2'
_cell_volume   91.75
_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  0.6  0.0  0.39  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.72  0.59  0.48  1.0
  Cl  Cl1  1  0.48  0.59  0.31  1.0

data_ZnNiCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.25
_cell_length_c   6.86
_cell_angle_alpha   98.8
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNiCl2
_chemical_formula_sum   'Zn1 Ni1 Cl2'
_cell_volume   91.75
_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  0.4  0.61  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.41  0.28  0.52  1.0
  Cl  Cl3  1  0.41  0.52  0.69  1.0

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