data_TlCdSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   4.82
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   95.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdSb2
_chemical_formula_sum   'Tl1 Cd1 Sb2'
_cell_volume   116.63
_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  0.67  0.0  0.55  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.43  0.41  0.46  1.0
  Sb  Sb2  1  0.31  0.41  0.64  1.0

data_TlCdSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.82
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   95.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdSb2
_chemical_formula_sum   'Tl1 Cd1 Sb2'
_cell_volume   116.63
_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  0.67  0.0  0.55  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.31  0.41  0.64  1.0
  Sb  Sb3  1  0.43  0.41  0.46  1.0

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