data_[Li14Tl4Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0281]
_cell_length_b [7.8086]
_cell_length_c [7.2479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li7(TlCd)2]
_chemical_formula_sum '[Li14 Tl4 Cd4]'
_cell_volume [439.9675]
_cell_formula_units_Z [2]
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
[
  Li  Li0  8  0.2015  0.2989  0.1904  1.0
  Li  Li1  4  0.1979  0.5000  0.5152  1.0
  Li  Li2  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  4  0.1050  0.5000  0.8453  1.0
  Cd  Cd4  4  0.0000  0.1942  0.5000  1.0
]