data_[Tb6Nd8Tl2]
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 [Pmn2_1]
_cell_length_a [11.4931]
_cell_length_b [7.1659]
_cell_length_c [6.3067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb3Nd4Tl]
_chemical_formula_sum '[Tb6 Nd8 Tl2]'
_cell_volume [519.4133]
_cell_formula_units_Z [2]
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  4  0.2452  0.6165  0.9722  1.0
  Tb  Tb1  2  0.0000  0.6286  0.6496  1.0
  Nd  Nd2  4  0.2281  0.1338  0.9870  1.0
  Nd  Nd3  2  0.0000  0.1295  0.6186  1.0
  Nd  Nd4  2  0.0000  0.8695  0.1751  1.0
  Tl  Tl5  2  0.0000  0.3934  0.1536  1.0
]