data_[Li12Tl6Pb2]
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 [P2_1/m]
_cell_length_a [8.2845]
_cell_length_b [4.9096]
_cell_length_c [10.6427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7774]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li6Tl3Pb]
_chemical_formula_sum '[Li12 Tl6 Pb2]'
_cell_volume [407.3482]
_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  2  0.0435  0.7500  0.9155  1
  Li  Li1  2  0.1461  0.2500  0.6732  1
  Li  Li2  2  0.1465  0.7500  0.2203  1
  Li  Li3  2  0.2283  0.7500  0.5214  1
  Li  Li4  2  0.3714  0.2500  0.2802  1
  Li  Li5  2  0.4504  0.7500  0.1086  1
  Tl  Tl6  2  0.2375  0.2500  0.9892  1
  Tl  Tl7  2  0.3395  0.7500  0.8163  1
  Tl  Tl8  2  0.4746  0.2500  0.5970  1
  Pb  Pb9  2  0.0810  0.2500  0.3740  1
]