data_[Ho2Er10Tl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  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 [9.2260]
_cell_length_b [9.2260]
_cell_length_c [9.2556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [HoEr5Tl8]
_chemical_formula_sum '[Ho2 Er10 Tl16]'
_cell_volume [787.8220]
_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
[
  Ho  Ho0  2  0.0000  0.5000  0.2500  1.0
  Er  Er1  8  0.1259  0.7529  0.8771  1.0
  Er  Er2  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl3  8  0.0804  0.6675  0.5461  1.0
  Tl  Tl4  8  0.0831  0.8318  0.2079  1.0
]