data_CdNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.94
_cell_length_b   7.94
_cell_length_c   4.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   159.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNi2
_chemical_formula_sum   'Cd2 Ni4'
_cell_volume   89.6
_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  0.39  0.21  0.09  1.0
  Cd  Cd1  1  0.39  0.79  0.03  1.0
  Ni  Ni2  1  0.39  0.57  0.09  1.0
  Ni  Ni3  1  0.39  0.72  0.09  1.0
  Ni  Ni4  1  0.39  0.28  0.03  1.0
  Ni  Ni5  1  0.39  0.43  0.03  1.0

data_CdNi2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.78
_cell_length_b   4.12
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   100.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CdNi2
_chemical_formula_sum   'Cd2 Ni4'
_cell_volume   89.6
_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  0.21  0.47  0.71  1.0
  Ni  Ni1  2  0.28  0.53  0.78  1.0
  Ni  Ni2  2  0.43  0.53  0.93  1.0

Cd Cd Ni Ni Ni Ni