data_[Na6Tl8In4]
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 [C2/m]
_cell_length_a [9.5239]
_cell_length_b [5.4652]
_cell_length_c [9.8713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3(Tl2In)2]
_chemical_formula_sum '[Na6 Tl8 In4]'
_cell_volume [513.8021]
_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  0.1624  0.5000  0.7668  1.0
  Na  Na1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0063  0.0000  0.3314  1.0
  Tl  Tl3  4  0.1677  0.5000  0.1006  1.0
  In  In4  4  0.1723  0.5000  0.4297  1.0
]