data_[Na10Li4Tl10]
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 [14.6711]
_cell_length_b [4.9983]
_cell_length_c [9.9118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5548]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na5Li2Tl5]
_chemical_formula_sum '[Na10 Li4 Tl10]'
_cell_volume [632.2615]
_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  0.0896  0.5000  0.2569  1
  Na  Na1  4  0.1699  0.5000  0.9964  1
  Na  Na2  2  0.0000  0.5000  0.5000  1
  Li  Li3  4  0.1665  0.0000  0.5038  1
  Tl  Tl4  4  0.0778  0.0000  0.7239  1
  Tl  Tl5  4  0.2459  0.5000  0.7160  1
  Tl  Tl6  2  0.0000  0.0000  0.0000  1
]