data_TlCdIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   10.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdIn2
_chemical_formula_sum   'Tl1 Cd1 In2'
_cell_volume   110.18
_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  0.91  0.0  0.22  1.0
  Cd  Cd0  1  0.0  0.0  0.57  1.0
  In  In1  1  0.91  0.0  0.07  1.0
  In  In2  1  0.0  0.0  0.03  1.0

data_TlCdIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   10.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdIn2
_chemical_formula_sum   'Tl1 Cd1 In2'
_cell_volume   110.18
_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  0.91  0.0  0.22  1.0
  Cd  Cd1  1  0.0  0.0  0.57  1.0
  In  In2  1  0.0  0.0  0.03  1.0
  In  In3  1  0.91  0.0  0.07  1.0

Tl Cd In In