data_[Nd8Ho18Tl22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [16.2782]
_cell_length_b [23.2407]
_cell_length_c [3.5696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Nd4Ho9Tl11]
_chemical_formula_sum '[Nd8 Ho18 Tl22]'
_cell_volume [1350.4162]
_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
[
  Nd  Nd0  8  0.1698  0.4188  0.5000  1
  Ho  Ho1  8  0.1071  0.0957  0.5000  1
  Ho  Ho2  8  0.1131  0.2745  0.5000  1
  Ho  Ho3  2  0.0000  0.5000  0.5000  1
  Tl  Tl4  8  0.2264  0.1822  0.0000  1
  Tl  Tl5  4  0.0000  0.1884  0.0000  1
  Tl  Tl6  4  0.0000  0.3759  0.0000  1
  Tl  Tl7  4  0.2032  0.0000  0.0000  1
  Tl  Tl8  2  0.0000  0.0000  0.0000  1
]