data_[Na10Li4Tl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0618]
_cell_length_b [10.4468]
_cell_length_c [9.5036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.5937]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na5(LiTl6)2]
_chemical_formula_sum '[Na10 Li4 Tl24]'
_cell_volume [1091.1722]
_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
[
  Na  Na0  4  0.2163  0.5000  0.7495  1
  Na  Na1  4  0.2314  0.5000  0.3916  1
  Na  Na2  2  0.0000  0.0000  0.5000  1
  Li  Li3  4  0.0000  0.2473  0.0000  1
  Tl  Tl4  8  0.0910  0.2666  0.4081  1
  Tl  Tl5  8  0.2100  0.1807  0.8285  1
  Tl  Tl6  4  0.0001  0.0000  0.1669  1
  Tl  Tl7  4  0.0563  0.5000  0.8929  1
]