data_TlCd2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   6.49
_cell_angle_alpha   152.84
_cell_angle_beta   136.03
_cell_angle_gamma   52.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCd2Cu
_chemical_formula_sum   'Tl1 Cd2 Cu1'
_cell_volume   86.38
_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  0.0  0.0  0.82  1.0
  Cd  Cd0  1  0.0  0.43  0.46  1.0
  Cd  Cd1  1  0.52  0.0  0.36  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0

data_TlCd2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.86
_cell_length_c   6.49
_cell_angle_alpha   111.99
_cell_angle_beta   103.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCd2Cu
_chemical_formula_sum   'Tl1 Cd2 Cu1'
_cell_volume   86.38
_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  0.18  0.18  0.18  1.0
  Cd  Cd1  1  0.16  0.64  0.16  1.0
  Cd  Cd2  1  0.54  0.97  0.97  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Tl Cd Cd Cu