data_[La8Nd5Tl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.6990]
_cell_length_b [8.7103]
_cell_length_c [8.9967]
_cell_angle_alpha [116.5205]
_cell_angle_beta [118.1737]
_cell_angle_gamma [91.7163]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [La8Nd5Tl]
_chemical_formula_sum '[La8 Nd5 Tl1]'
_cell_volume [512.0260]
_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
[
  La  La0  1  0.0093  0.3275  0.7873  1
  La  La1  1  0.2542  0.7600  0.3934  1
  La  La2  1  0.3381  0.2833  0.6435  1
  La  La3  1  0.5055  0.5854  0.1561  1
  La  La4  1  0.5533  0.0721  0.3777  1
  La  La5  1  0.6382  0.5781  0.6282  1
  La  La6  1  0.8882  0.4051  0.3651  1
  La  La7  1  0.9249  0.8696  0.5718  1
  Nd  Nd8  1  0.1386  0.7610  0.9380  1
  Nd  Nd9  1  0.1905  0.2420  0.1741  1
  Nd  Nd10  1  0.4144  0.0553  0.9313  1
  Nd  Nd11  1  0.7175  0.0841  0.8214  1
  Nd  Nd12  1  0.8627  0.9504  0.1829  1
  Tl  Tl13  1  0.8147  0.5260  0.0292  1
]