data_[Li4Tl4]
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 [P2/c]
_cell_length_a [3.3059]
_cell_length_b [20.1932]
_cell_length_c [7.5286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9966]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [LiTl]
_chemical_formula_sum '[Li4 Tl4]'
_cell_volume [489.7079]
_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  0.0000  0.3715  0.2500  1
  Li  Li1  2  0.0000  0.5000  0.0000  1
  Tl  Tl2  4  0.3561  0.3741  0.9295  1
]