data_[Na10Tl4In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.6831]
_cell_length_b [15.9248]
_cell_length_c [5.2042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Na5(TlIn2)2]
_chemical_formula_sum '[Na10 Tl4 In8]'
_cell_volume [636.7459]
_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  0.1163  0.9162  0.0000  1
  Na  Na1  4  0.2259  0.6963  0.0000  1
  Na  Na2  2  0.0000  0.5000  0.0000  1
  Tl  Tl3  4  0.0444  0.8037  0.5000  1
  In  In4  4  0.0786  0.3780  0.5000  1
  In  In5  4  0.2082  0.0431  0.5000  1
]