data_[Na2Tl6In2Sn2]
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 [P2_1/m]
_cell_length_a [7.8528]
_cell_length_b [4.6333]
_cell_length_c [10.1530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaTl3InSn]
_chemical_formula_sum '[Na2 Tl6 In2 Sn2]'
_cell_volume [350.7890]
_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  2  0.1589  0.7500  0.2891  1.0
  Tl  Tl1  2  0.1745  0.2500  0.5374  1.0
  Tl  Tl2  2  0.1869  0.7500  0.7987  1.0
  Tl  Tl3  2  0.1883  0.2500  0.0537  1.0
  In  In4  2  0.4979  0.2500  0.8666  1.0
  Sn  Sn5  2  0.4992  0.2500  0.3832  1.0
]