data_[Nd16Ho12Tl8]
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 [C2/c]
_cell_length_a [12.9193]
_cell_length_b [13.7855]
_cell_length_c [6.5549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1746]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd4Ho3Tl2]
_chemical_formula_sum '[Nd16 Ho12 Tl8]'
_cell_volume [1162.6660]
_cell_formula_units_Z [4]
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  0.1058  0.2105  0.0864  1.0
  Nd  Nd1  8  0.1467  0.3250  0.5923  1.0
  Ho  Ho2  8  0.1114  0.0621  0.6047  1.0
  Ho  Ho3  4  0.0000  0.4687  0.2500  1.0
  Tl  Tl4  8  0.2045  0.4326  0.0486  1.0
]