data_[Er20Al4Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.0468]
_cell_length_b [8.0468]
_cell_length_c [13.7173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Er5AlTl2]
_chemical_formula_sum '[Er20 Al4 Tl8]'
_cell_volume [888.2066]
_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
[
  Er  Er0  16  0.1580  0.3420  0.6554  1.0
  Er  Er1  4  0.0000  0.0000  0.0000  1.0
  Al  Al2  4  0.0000  0.0000  0.2500  1.0
  Tl  Tl3  8  0.1376  0.6376  0.5000  1.0
]