data_[Er8Tm18Tl22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [16.0173]
_cell_length_b [22.7873]
_cell_length_c [3.5444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Er4Tm9Tl11]
_chemical_formula_sum '[Er8 Tm18 Tl22]'
_cell_volume [1293.6617]
_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
[
  Er  Er0  8  0.1668  0.4190  0.5000  1
  Tm  Tm1  8  0.1095  0.0939  0.5000  1
  Tm  Tm2  8  0.1133  0.2728  0.5000  1
  Tm  Tm3  2  0.0000  0.5000  0.5000  1
  Tl  Tl4  8  0.2303  0.1796  0.0000  1
  Tl  Tl5  4  0.0000  0.1867  0.0000  1
  Tl  Tl6  4  0.0000  0.3770  0.0000  1
  Tl  Tl7  4  0.2123  0.0000  0.0000  1
  Tl  Tl8  2  0.0000  0.0000  0.0000  1
]