data_[Ho1Er12Tl3]
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 [P4/mmm]
_cell_length_a [4.8237]
_cell_length_b [4.8237]
_cell_length_c [19.6555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ho(Er4Tl)3]
_chemical_formula_sum '[Ho1 Er12 Tl3]'
_cell_volume [457.3368]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Er  Er1  4  0.0000  0.5000  0.1293  1
  Er  Er2  4  0.0000  0.5000  0.3771  1
  Er  Er3  2  0.5000  0.5000  0.2545  1
  Er  Er4  1  0.5000  0.5000  0.0000  1
  Er  Er5  1  0.5000  0.5000  0.5000  1
  Tl  Tl6  2  0.0000  0.0000  0.2563  1
  Tl  Tl7  1  0.0000  0.0000  0.5000  1
]