data_[Tl7Cd8]
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
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [8.3448]
_cell_length_b [8.3448]
_cell_length_c [21.0930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Tl7Cd8]
_chemical_formula_sum '[Tl7 Cd8]'
_cell_volume [1272.0428]
_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  6  0.2080  0.4160  0.6128  1
  Tl  Tl1  1  0.0000  0.0000  0.4103  1
  Cd  Cd2  6  0.2123  0.4246  0.4608  1
  Cd  Cd3  2  0.3333  0.6667  0.3240  1
]