data_[Ho12Tl4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.8600]
_cell_length_b [14.7959]
_cell_length_c [8.6626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ho6Tl2Ir]
_chemical_formula_sum '[Ho12 Tl4 Ir2]'
_cell_volume [494.7368]
_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  4  0.0000  0.1174  0.8780  1
  Ho  Ho1  4  0.5000  0.1939  0.1916  1
  Ho  Ho2  2  0.0000  0.0000  0.2477  1
  Ho  Ho3  2  0.5000  0.0000  0.6026  1
  Tl  Tl4  4  0.0000  0.1686  0.4984  1
  Ir  Ir5  2  0.5000  0.0000  0.0138  1
]