data_Ti2TlCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2TlCd
_chemical_formula_sum   'Ti2 Tl1 Cd1'
_cell_volume   82.09
_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  Ti1  1  0.03  0.0  0.05  1.0
  Ti  Ti2  1  0.0  0.0  0.16  1.0
  Tl  Tl3  1  0.03  0.0  0.72  1.0
  Cd  Cd0  1  0.0  0.0  0.09  1.0

data_Ti2TlCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2TlCd
_chemical_formula_sum   'Ti2 Tl1 Cd1'
_cell_volume   82.09
_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  0.16  1.0
  Ti  Ti1  1  0.03  0.0  0.05  1.0
  Tl  Tl2  1  0.03  0.0  0.72  1.0
  Cd  Cd3  1  0.0  0.0  0.09  1.0

Ti Ti Tl Cd