data_Cu2NiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.06
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   97.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2NiCl
_chemical_formula_sum   'Cu2 Ni1 Cl1'
_cell_volume   56.97
_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  Cu1  1  0.82  0.53  0.75  1.0
  Cu  Cu2  1  0.29  0.0  0.49  1.0
  Ni  Ni3  1  0.86  0.53  0.29  1.0
  Cl  Cl0  1  0.82  0.0  0.56  1.0

data_Cu2NiCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.09
_cell_length_c   6.09
_cell_angle_alpha   97.28
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2NiCl
_chemical_formula_sum   'Cu2 Ni1 Cl1'
_cell_volume   56.97
_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  0.71  0.51  1.0
  Cu  Cu1  1  0.47  0.18  0.25  1.0
  Ni  Ni2  1  0.47  0.14  0.71  1.0
  Cl  Cl3  1  0.0  0.18  0.44  1.0

Cu Cu Ni Cl