data_TiTlCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   4.42
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTlCd2
_chemical_formula_sum   'Ti1 Tl1 Cd2'
_cell_volume   87.86
_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  Ti2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.0  0.11  1.0
  Cd  Cd0  1  0.6  0.21  0.81  1.0
  Cd  Cd1  1  0.6  0.21  0.41  1.0

data_TiTlCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.42
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTlCd2
_chemical_formula_sum   'Ti1 Tl1 Cd2'
_cell_volume   87.86
_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
  Tl  Tl1  1  0.0  0.0  0.11  1.0
  Cd  Cd2  1  0.6  0.21  0.41  1.0
  Cd  Cd3  1  0.6  0.21  0.81  1.0

Ti Tl Cd Cd
Ti Tl Cd Cd 0 1 o o o 0 2 o o - 0 2 - o - 0 3 - o o 1 2 - o - 1 3 o o o 1 3 - o o 2 3 o o o 