data_[Li4Nd2Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.2183]
_cell_length_b [5.0063]
_cell_length_c [9.8882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li2NdTl2]
_chemical_formula_sum '[Li4 Nd2 Tl4]'
_cell_volume [249.9290]
_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
[
  Li  Li0  2  0.3478  0.2500  0.7007  1.0
  Li  Li1  2  0.4470  0.7500  0.9262  1.0
  Nd  Nd2  2  0.1552  0.2500  0.2995  1.0
  Tl  Tl3  2  0.0271  0.7500  0.0934  1.0
  Tl  Tl4  2  0.2573  0.7500  0.5193  1.0
]