data_[Li6Tl14]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1616]
_cell_length_b [4.9175]
_cell_length_c [6.5418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7433]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Tl7]
_chemical_formula_sum '[Li6 Tl14]'
_cell_volume [509.0294]
_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  4  0.1825  0.0000  0.6724  1
  Li  Li1  2  0.0000  0.0000  0.0000  1
  Tl  Tl2  4  0.0803  0.5000  0.8557  1
  Tl  Tl3  4  0.1357  0.5000  0.3928  1
  Tl  Tl4  4  0.2073  0.0000  0.1432  1
  Tl  Tl5  2  0.0000  0.0000  0.5000  1
]