data_[Er20Al8Tl8]
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 [Cmce]
_cell_length_a [16.0642]
_cell_length_b [7.8143]
_cell_length_c [7.7241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Er5(AlTl)2]
_chemical_formula_sum '[Er20 Al8 Tl8]'
_cell_volume [969.6111]
_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  0.1308  0.1851  0.3221  1
  Er  Er1  4  0.0000  0.0000  0.0000  1
  Al  Al2  8  0.0000  0.1181  0.6199  1
  Tl  Tl3  8  0.2192  0.0000  0.0000  1
]