data_TlCd2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   9.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCd2Sb
_chemical_formula_sum   'Tl1 Cd2 Sb1'
_cell_volume   107.27
_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
  Tl  Tl3  1  0.24  0.0  0.28  1.0
  Cd  Cd0  1  0.0  0.0  0.24  1.0
  Cd  Cd1  1  0.24  0.0  0.19  1.0
  Sb  Sb2  1  0.0  0.0  0.93  1.0

data_TlCd2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   9.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCd2Sb
_chemical_formula_sum   'Tl1 Cd2 Sb1'
_cell_volume   107.27
_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
  Tl  Tl0  1  0.24  0.0  0.28  1.0
  Cd  Cd1  1  0.0  0.0  0.24  1.0
  Cd  Cd2  1  0.24  0.0  0.19  1.0
  Sb  Sb3  1  0.0  0.0  0.93  1.0

Tl Cd Cd Sb
Tl Cd Cd Sb 0 1 o o o 0 2 o o o 0 3 o o - 1 2 o o o 1 3 o o - 2 3 o o - 3 3 o + o 3 3 + o o 