data_[Li12Ho4Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3813]
_cell_length_b [4.5930]
_cell_length_c [9.1815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.5038]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3HoTl2]
_chemical_formula_sum '[Li12 Ho4 Tl8]'
_cell_volume [522.5250]
_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  4  0.0510  0.0000  0.3925  1.0
  Li  Li1  4  0.0917  0.5000  0.6859  1.0
  Li  Li2  4  0.2402  0.5000  0.5712  1.0
  Ho  Ho3  4  0.1342  0.0000  0.0072  1.0
  Tl  Tl4  4  0.0587  0.5000  0.2056  1.0
  Tl  Tl5  4  0.2105  0.0000  0.7414  1.0
]