data_[Li16Tl4Pb2]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5729]
_cell_length_b [14.1097]
_cell_length_c [4.8724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7562]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8Tl2Pb]
_chemical_formula_sum '[Li16 Tl4 Pb2]'
_cell_volume [427.7369]
_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  0.2201  0.1228  0.1944  1.0
  Li  Li1  4  0.0000  0.2057  0.5000  1.0
  Li  Li2  4  0.0709  0.5000  0.2900  1.0
  Tl  Tl3  4  0.0000  0.3141  0.0000  1.0
  Pb  Pb4  2  0.0000  0.0000  0.5000  1.0
]