data_[Li14Tl2Bi8]
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 [12.3881]
_cell_length_b [5.1791]
_cell_length_c [10.6687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2354]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li7TlBi4]
_chemical_formula_sum '[Li14 Tl2 Bi8]'
_cell_volume [565.8957]
_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  4  0.0969  0.0000  0.4523  1.0
  Li  Li1  4  0.1864  0.5000  0.9048  1.0
  Li  Li2  4  0.2280  0.5000  0.6469  1.0
  Li  Li3  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl4  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi5  4  0.0924  0.5000  0.3096  1.0
  Bi  Bi6  4  0.1966  0.0000  0.7725  1.0
]