data_[Li2Tl16Bi4]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7082]
_cell_length_b [9.5490]
_cell_length_c [7.5078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8565]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(Tl4Bi)2]
_chemical_formula_sum '[Li2 Tl16 Bi4]'
_cell_volume [727.9794]
_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  0.0000  0.0000  0.0000  1
  Tl  Tl1  8  0.1626  0.2631  0.1524  1
  Tl  Tl2  4  0.0750  0.5000  0.7744  1
  Tl  Tl3  4  0.1065  0.0000  0.7455  1
  Bi  Bi4  4  0.2463  0.0000  0.4663  1
]