data_[Li8Tm6Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5025]
_cell_length_b [4.8168]
_cell_length_c [30.3839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li4Tm3Tl4]
_chemical_formula_sum '[Li8 Tm6 Tl8]'
_cell_volume [512.5977]
_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  0.0000  0.0000  0.0925  1.0
  Li  Li1  4  0.0000  0.5000  0.2396  1.0
  Tm  Tm2  4  0.0000  0.0000  0.3560  1.0
  Tm  Tm3  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl4  4  0.0000  0.0000  0.1831  1.0
  Tl  Tl5  4  0.0000  0.5000  0.0511  1.0
]