data_[Y2Er10Tl16]
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 [I-4]
_cell_length_a [9.2257]
_cell_length_b [9.2257]
_cell_length_c [9.2909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [YEr5Tl8]
_chemical_formula_sum '[Y2 Er10 Tl16]'
_cell_volume [790.7875]
_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
[
  Y  Y0  2  0.0000  0.5000  0.2500  1.0
  Er  Er1  8  0.1271  0.2466  0.8783  1.0
  Er  Er2  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl3  8  0.0803  0.3325  0.5481  1.0
  Tl  Tl4  8  0.0836  0.1670  0.2077  1.0
]