data_CrCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCd
_chemical_formula_sum   'Cr2 Cd2'
_cell_volume   66.16
_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  0.5  0.82  0.85  1.0
  Cr  Cr3  1  0.5  0.18  0.45  1.0
  Cd  Cd0  1  0.5  0.82  0.89  1.0
  Cd  Cd1  1  0.5  0.18  0.41  1.0

data_CrCd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.07
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CrCd
_chemical_formula_sum   'Cr2 Cd2'
_cell_volume   66.16
_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  0.5  0.18  0.3  1.0
  Cd  Cd1  2  0.5  0.18  0.26  1.0

Cr Cr Cd Cd