data_CuNiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   3.32
_cell_angle_alpha   109.54
_cell_angle_beta   109.54
_cell_angle_gamma   92.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuNiCl2
_chemical_formula_sum   'Cu1 Ni1 Cl2'
_cell_volume   65.58
_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
  Cu  Cu2  1  0.28  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.64  0.72  0.0  1.0
  Cl  Cl1  1  0.64  0.28  0.0  1.0

data_CuNiCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   92.86
_cell_angle_beta   109.54
_cell_angle_gamma   109.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuNiCl2
_chemical_formula_sum   'Cu1 Ni1 Cl2'
_cell_volume   65.58
_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
  Cu  Cu0  1  0.0  0.28  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.64  0.72  1.0
  Cl  Cl3  1  0.0  0.64  0.28  1.0

Cu Ni Cl Cl