data_CrCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.82
_cell_length_b   9.82
_cell_length_c   9.82
_cell_angle_alpha   18.54
_cell_angle_beta   18.54
_cell_angle_gamma   18.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCd3
_chemical_formula_sum   'Cr1 Cd3'
_cell_volume   83.72
_cell_formula_units_Z   1
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  Cr3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.58  1.0
  Cd  Cd1  1  0.0  0.0  0.48  1.0
  Cd  Cd2  1  0.0  0.0  0.37  1.0

data_CrCd3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.48
_cell_length_b   3.16
_cell_length_c   9.82
_cell_angle_alpha   90.0
_cell_angle_beta   100.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrCd3
_chemical_formula_sum   'Cr2 Cd6'
_cell_volume   167.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.42  1.0
  Cd  Cd2  2  0.0  0.0  0.52  1.0
  Cd  Cd3  2  0.0  0.0  0.63  1.0

Cr Cd Cd Cd