data_[Li4Tl4Pb4]
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 [Cm]
_cell_length_a [11.2631]
_cell_length_b [4.7203]
_cell_length_c [6.6832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiTlPb]
_chemical_formula_sum '[Li4 Tl4 Pb4]'
_cell_volume [313.0220]
_cell_formula_units_Z [4]
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  0.0501  0.0000  0.6067  1.0
  Li  Li1  2  0.3781  0.0000  0.7868  1.0
  Tl  Tl2  2  0.1887  0.5000  0.9196  1.0
  Tl  Tl3  2  0.3909  0.0000  0.2996  1.0
  Pb  Pb4  2  0.0356  0.0000  0.1007  1.0
  Pb  Pb5  2  0.2338  0.5000  0.4691  1.0
]