data_[La8Nd6Tl2]
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 [Pmn2_1]
_cell_length_a [11.7096]
_cell_length_b [7.3207]
_cell_length_c [6.3494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [La4Nd3Tl]
_chemical_formula_sum '[La8 Nd6 Tl2]'
_cell_volume [544.2893]
_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
[
  La  La0  4  0.2261  0.3625  0.1434  1
  La  La1  2  0.0000  0.3701  0.5128  1
  La  La2  2  0.0000  0.6143  0.9491  1
  Nd  Nd3  4  0.2429  0.8835  0.1540  1
  Nd  Nd4  2  0.0000  0.8757  0.4834  1
  Tl  Tl5  2  0.0000  0.1031  0.9752  1
]