data_[Tb8Nd2Tl1]
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 [P-1]
_cell_length_a [6.1501]
_cell_length_b [6.1520]
_cell_length_c [9.3566]
_cell_angle_alpha [90.3053]
_cell_angle_beta [96.4095]
_cell_angle_gamma [99.6289]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb8Nd2Tl]
_chemical_formula_sum '[Tb8 Nd2 Tl1]'
_cell_volume [346.7375]
_cell_formula_units_Z [1]
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  2  0.0877  0.6792  0.3555  1
  Tb  Tb1  2  0.1917  0.8601  0.7298  1
  Tb  Tb2  2  0.2649  0.0382  0.0887  1
  Tb  Tb3  2  0.4524  0.4069  0.8266  1
  Nd  Nd4  2  0.3642  0.2219  0.4609  1
  Tl  Tl5  1  0.0000  0.5000  0.0000  1
]