data_[Nd20Y12Tl8]
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 [12.1314]
_cell_length_b [16.1115]
_cell_length_c [6.7040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd5Y3Tl2]
_chemical_formula_sum '[Nd20 Y12 Tl8]'
_cell_volume [1307.9621]
_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  0.1401  0.3426  0.6078  1.0
  Nd  Nd1  8  0.2442  0.4453  0.0409  1.0
  Nd  Nd2  4  0.0000  0.4644  0.2500  1.0
  Y  Y3  8  0.1140  0.2389  0.0855  1.0
  Y  Y4  4  0.0000  0.0319  0.2500  1.0
  Tl  Tl5  8  0.1111  0.1426  0.5915  1.0
]