data_[Tb12Nd24Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.9038]
_cell_length_b [20.7203]
_cell_length_c [6.4655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb3Nd6Tl]
_chemical_formula_sum '[Tb12 Nd24 Tl4]'
_cell_volume [1326.7959]
_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
[
  Tb  Tb0  8  0.1697  0.8728  0.5194  1
  Tb  Tb1  4  0.0000  0.4125  0.4172  1
  Nd  Nd2  8  0.1821  0.4443  0.9440  1
  Nd  Nd3  8  0.1861  0.2832  0.1602  1
  Nd  Nd4  4  0.0000  0.0193  0.6884  1
  Nd  Nd5  4  0.0000  0.2870  0.7178  1
  Tl  Tl6  4  0.0000  0.1547  0.4443  1
]