data_[Li14Tl2Sb8]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3555]
_cell_length_b [5.0733]
_cell_length_c [10.2981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1114]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li7TlSb4]
_chemical_formula_sum '[Li14 Tl2 Sb8]'
_cell_volume [534.4514]
_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  0.0817  0.0000  0.4365  1.0
  Li  Li1  4  0.1758  0.5000  0.8946  1.0
  Li  Li2  4  0.2282  0.5000  0.6417  1.0
  Li  Li3  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl4  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb5  4  0.0999  0.5000  0.3110  1.0
  Sb  Sb6  4  0.2066  0.0000  0.7738  1.0
]