data_CdNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   4.6
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNi
_chemical_formula_sum   'Cd2 Ni2'
_cell_volume   62.69
_cell_formula_units_Z   2
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  0.47  0.0  0.81  1.0
  Cd  Cd1  1  0.0  0.3  0.83  1.0
  Ni  Ni2  1  0.47  0.3  0.27  1.0
  Ni  Ni3  1  0.0  0.0  0.37  1.0

data_CdNi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.94
_cell_length_b   4.6
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CdNi
_chemical_formula_sum   'Cd2 Ni2'
_cell_volume   62.69
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.23  0.85  0.49  1.0
  Ni  Ni1  2  0.23  0.15  0.95  1.0

Cd Cd Ni Ni