data_[Na1Tl2In6Sn2]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7780]
_cell_length_b [7.7601]
_cell_length_c [7.9970]
_cell_angle_alpha [106.6033]
_cell_angle_beta [104.1353]
_cell_angle_gamma [105.5700]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaTl2(In3Sn)2]
_chemical_formula_sum '[Na1 Tl2 In6 Sn2]'
_cell_volume [310.3647]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1.0
  Tl  Tl1  2  0.0463  0.1908  0.4128  1.0
  In  In2  2  0.1297  0.5397  0.2161  1.0
  In  In3  2  0.2244  0.9043  0.0440  1.0
  In  In4  2  0.4229  0.6459  0.6914  1.0
  Sn  Sn5  2  0.3351  0.2826  0.8772  1.0
]