data_[Li20Er8Tl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.4520]
_cell_length_b [10.9432]
_cell_length_c [17.3596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Li5(ErTl2)2]
_chemical_formula_sum '[Li20 Er8 Tl16]'
_cell_volume [1035.7141]
_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  8  0.2500  0.2500  0.0000  1
  Li  Li1  8  0.2500  0.2500  0.2500  1
  Li  Li2  4  0.0000  0.0000  0.5000  1
  Er  Er3  8  0.0000  0.0000  0.1772  1
  Tl  Tl4  16  0.0000  0.1498  0.3691  1
]