data_[Na4Li10Tl4In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [11.6013]
_cell_length_b [11.6013]
_cell_length_c [3.5182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Na2Li5Tl2In]
_chemical_formula_sum '[Na4 Li10 Tl4 In2]'
_cell_volume [473.5093]
_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  0.1709  0.3291  0.0000  1
  Li  Li1  8  0.0579  0.8119  0.5000  1
  Li  Li2  2  0.0000  0.5000  0.5000  1
  Tl  Tl3  4  0.1315  0.6315  0.0000  1
  In  In4  2  0.0000  0.0000  0.0000  1
]