data_Cr2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Cd
_chemical_formula_sum   'Cr8 Cd4'
_cell_volume   232.15
_cell_formula_units_Z   4
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  Cr4  1  0.52  0.59  0.63  1.0
  Cr  Cr5  1  0.52  0.63  0.55  1.0
  Cr  Cr6  1  0.55  0.52  0.63  1.0
  Cr  Cr7  1  0.55  0.55  0.55  1.0
  Cr  Cr8  1  0.59  0.59  0.59  1.0
  Cr  Cr9  1  0.59  0.63  0.52  1.0
  Cr  Cr10  1  0.63  0.52  0.59  1.0
  Cr  Cr11  1  0.63  0.55  0.52  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.07  0.07  1.0
  Cd  Cd2  1  0.07  0.0  0.07  1.0
  Cd  Cd3  1  0.07  0.07  0.0  1.0

data_Cr2Cd
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.69
_cell_length_b   8.69
_cell_length_c   10.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Cr2Cd
_chemical_formula_sum   'Cr24 Cd12'
_cell_volume   696.44
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.01  0.06  0.58  1.0
  Cr  Cr1  9  0.06  0.05  0.57  1.0
  Cr  Cr2  3  0.0  0.0  0.55  1.0
  Cr  Cr3  3  0.0  0.0  0.59  1.0
  Cd  Cd4  9  0.02  0.05  0.05  1.0
  Cd  Cd5  3  0.0  0.0  0.0  1.0

Cr Cr Cr Cr Cr Cr Cr Cr Cd Cd Cd Cd