data_Cr2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   7.13
_cell_angle_alpha   112.63
_cell_angle_beta   112.63
_cell_angle_gamma   33.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Cd
_chemical_formula_sum   'Cr4 Cd2'
_cell_volume   89.34
_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
  Cr  Cr2  1  0.45  0.0  0.28  1.0
  Cr  Cr3  1  0.15  0.0  0.25  1.0
  Cr  Cr4  1  0.34  0.0  0.23  1.0
  Cr  Cr5  1  0.26  0.0  0.3  1.0
  Cd  Cd0  1  0.82  0.0  0.92  1.0
  Cd  Cd1  1  0.78  0.0  0.61  1.0

data_Cr2Cd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.89
_cell_length_b   4.95
_cell_length_c   6.94
_cell_angle_alpha   71.48
_cell_angle_beta   78.0
_cell_angle_gamma   73.04
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cr2Cd
_chemical_formula_sum   'Cr4 Cd2'
_cell_volume   89.34
_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
  Cr  Cr0  2  0.0  0.07  0.96  1.0
  Cr  Cr1  2  0.0  0.14  0.01  1.0
  Cd  Cd2  2  0.0  0.13  0.35  1.0

Cr Cr Cr Cr Cd Cd