data_[Er12Tm8Tl16]
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 [Cmce]
_cell_length_a [7.0808]
_cell_length_b [15.5405]
_cell_length_c [9.4885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Er3(TmTl2)2]
_chemical_formula_sum '[Er12 Tm8 Tl16]'
_cell_volume [1044.0984]
_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  8  0.2500  0.2105  0.2500  1
  Er  Er1  4  0.0000  0.0000  0.0000  1
  Tm  Tm2  8  0.0000  0.1086  0.5551  1
  Tl  Tl3  8  0.0000  0.1944  0.9671  1
  Tl  Tl4  8  0.2500  0.0107  0.2500  1
]