data_TlZnCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   4.41
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnCd2
_chemical_formula_sum   'Tl1 Zn1 Cd2'
_cell_volume   93.89
_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  Tl2  1  0.0  0.0  0.21  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.66  0.2  0.46  1.0
  Cd  Cd1  1  0.66  0.2  0.97  1.0

data_TlZnCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.41
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnCd2
_chemical_formula_sum   'Tl1 Zn1 Cd2'
_cell_volume   93.89
_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  0.0  0.0  0.21  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.66  0.2  0.46  1.0
  Cd  Cd3  1  0.66  0.2  0.97  1.0

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