data_[Y12Er20Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.7604]
_cell_length_b [15.3656]
_cell_length_c [6.3897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Y3Er5Tl2]
_chemical_formula_sum '[Y12 Er20 Tl8]'
_cell_volume [1252.8387]
_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
[
  Y  Y0  8  0.1188  0.2257  0.0000  1
  Y  Y1  4  0.0000  0.0000  0.2500  1
  Er  Er2  8  0.1150  0.3354  0.5000  1
  Er  Er3  8  0.2476  0.5000  0.2500  1
  Er  Er4  4  0.0000  0.5000  0.2500  1
  Tl  Tl5  8  0.1334  0.1455  0.5000  1
]