data_[Nd13Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [7.0791]
_cell_length_b [8.7331]
_cell_length_c [9.1735]
_cell_angle_alpha [66.5284]
_cell_angle_beta [78.0136]
_cell_angle_gamma [83.0232]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd13Tl2]
_chemical_formula_sum '[Nd13 Tl2]'
_cell_volume [508.3868]
_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
[
  Nd  Nd0  2  0.1231  0.4746  0.7348  1.0
  Nd  Nd1  2  0.1969  0.2332  0.1510  1.0
  Nd  Nd2  2  0.2651  0.9347  0.5891  1.0
  Nd  Nd3  2  0.3091  0.6561  0.9709  1.0
  Nd  Nd4  2  0.3646  0.4117  0.3897  1.0
  Nd  Nd5  2  0.4970  0.1378  0.7955  1.0
  Nd  Nd6  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl7  2  0.0577  0.7760  0.3829  1.0
]