data_[La12Nd12Tl8]
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 [Cmcm]
_cell_length_a [5.4706]
_cell_length_b [12.5835]
_cell_length_c [15.9076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La3Nd3Tl2]
_chemical_formula_sum '[La12 Nd12 Tl8]'
_cell_volume [1095.0619]
_cell_formula_units_Z [4]
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  8  0.0000  0.0431  0.6108  1
  La  La1  4  0.0000  0.2845  0.7500  1
  Nd  Nd2  8  0.0000  0.3673  0.5320  1
  Nd  Nd3  4  0.0000  0.4378  0.2500  1
  Tl  Tl4  8  0.0000  0.2215  0.1321  1
]