data_SrTiCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   3.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTiCd
_chemical_formula_sum   'Sr1 Ti1 Cd1'
_cell_volume   85.08
_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
  Sr  Sr1  1  0.0  0.01  0.81  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.61  0.51  0.0  1.0

data_SrTiCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTiCd
_chemical_formula_sum   'Sr1 Ti1 Cd1'
_cell_volume   85.08
_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
  Sr  Sr0  1  0.81  0.0  0.01  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  -0.0  0.61  0.51  1.0

Sr Ti Cd
Sr Ti Cd 0 1 o o + 0 2 - - + 1 2 - - o 