data_[Nd20Dy12Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8305]
_cell_length_b [8.1143]
_cell_length_c [11.4313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd5Dy3Tl]
_chemical_formula_sum '[Nd20 Dy12 Tl4]'
_cell_volume [1275.2566]
_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  0.1257  0.2130  0.7532  1
  Nd  Nd1  4  0.0000  0.3310  0.0000  1
  Nd  Nd2  4  0.0085  0.5000  0.3708  1
  Nd  Nd3  4  0.2378  0.0000  0.0382  1
  Dy  Dy4  4  0.1697  0.5000  0.2170  1
  Dy  Dy5  4  0.2427  0.5000  0.5254  1
  Dy  Dy6  2  0.0000  0.0000  0.0000  1
  Dy  Dy7  2  0.0000  0.0000  0.5000  1
  Tl  Tl8  4  0.0965  0.0000  0.2598  1
]