data_TiCrCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   4.48
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   95.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrCd2
_chemical_formula_sum   'Ti1 Cr1 Cd2'
_cell_volume   67.74
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.74  0.0  0.73  1.0
  Cd  Cd0  1  0.35  0.24  0.4  1.0
  Cd  Cd1  1  0.9  0.24  0.06  1.0

data_TiCrCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.48
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   95.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrCd2
_chemical_formula_sum   'Ti1 Cr1 Cd2'
_cell_volume   67.74
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.74  0.0  0.73  1.0
  Cd  Cd2  1  0.35  0.24  0.4  1.0
  Cd  Cd3  1  0.9  0.24  0.06  1.0

Ti Cr Cd Cd