data_[Nd8Y24Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.7597]
_cell_length_b [6.0905]
_cell_length_c [11.8798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NdY3Tl]
_chemical_formula_sum '[Nd8 Y24 Tl8]'
_cell_volume [1220.0182]
_cell_formula_units_Z [8]
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  0.1484  0.2339  0.9883  1.0
  Y  Y1  8  0.0541  0.2555  0.5188  1.0
  Y  Y2  8  0.0942  0.1193  0.2478  1.0
  Y  Y3  8  0.2100  0.4391  0.7500  1.0
  Tl  Tl4  4  0.0000  0.4089  0.7500  1.0
  Tl  Tl5  4  0.2500  0.2500  0.5000  1.0
]