data_Cd2NiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   6.16
_cell_angle_alpha   103.95
_cell_angle_beta   103.95
_cell_angle_gamma   38.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2NiCl
_chemical_formula_sum   'Cd2 Ni1 Cl1'
_cell_volume   94.32
_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
  Cd  Cd0  1  0.45  0.0  0.38  1.0
  Cd  Cd1  1  0.49  0.0  0.96  1.0
  Ni  Ni3  1  0.32  0.0  0.94  1.0
  Cl  Cl2  1  0.72  0.0  0.66  1.0

data_Cd2NiCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   5.06
_cell_length_c   6.16
_cell_angle_alpha   103.95
_cell_angle_beta   90.0
_cell_angle_gamma   109.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2NiCl
_chemical_formula_sum   'Cd2 Ni1 Cl1'
_cell_volume   94.32
_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
  Cd  Cd0  1  0.0  0.51  0.04  1.0
  Cd  Cd1  1  0.0  0.55  0.62  1.0
  Ni  Ni2  1  0.0  0.68  0.06  1.0
  Cl  Cl3  1  0.0  0.28  0.34  1.0

Cd Cd Ni Cl