data_[Li2Nd8Tl2]
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 [6.3914]
_cell_length_b [6.7723]
_cell_length_c [8.7750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5518]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiNd4Tl]
_chemical_formula_sum '[Li2 Nd8 Tl2]'
_cell_volume [372.1228]
_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  0.4505  0.7500  0.5439  1
  Nd  Nd1  4  0.3073  0.5043  0.8292  1
  Nd  Nd2  2  0.0908  0.2500  0.4749  1
  Nd  Nd3  2  0.1852  0.7500  0.1918  1
  Tl  Tl4  2  0.2007  0.2500  0.1336  1
]