data_[Tl1Cd1Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.3594]
_cell_length_b [4.2884]
_cell_length_c [5.3474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2924]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TlCdCu2]
_chemical_formula_sum '[Tl1 Cd1 Cu2]'
_cell_volume [73.9431]
_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  0.5265  0.0000  0.4419  1
  Cd  Cd1  1  0.2335  0.5000  0.8220  1
  Cu  Cu2  1  0.8032  0.0000  0.9832  1
  Cu  Cu3  1  0.9369  0.5000  0.2529  1
]