data_[Li2Nd16Tl10]
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 [I-4]
_cell_length_a [9.6340]
_cell_length_b [9.6340]
_cell_length_c [9.6244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [LiNd8Tl5]
_chemical_formula_sum '[Li2 Nd16 Tl10]'
_cell_volume [893.2794]
_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  0.0000  0.5000  0.2500  1
  Nd  Nd1  8  0.0687  0.1701  0.2054  1
  Nd  Nd2  8  0.0813  0.3182  0.5625  1
  Tl  Tl3  8  0.1269  0.2527  0.8858  1
  Tl  Tl4  2  0.0000  0.0000  0.5000  1
]