data_[Li1Tl2Pb1]
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/m]
_cell_length_a [3.5385]
_cell_length_b [4.9655]
_cell_length_c [6.5929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0343]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiTl2Pb]
_chemical_formula_sum '[Li1 Tl2 Pb1]'
_cell_volume [111.8762]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1.0
  Tl  Tl1  2  0.3367  0.0000  0.2340  1.0
  Pb  Pb2  1  0.0000  0.5000  0.5000  1.0
]