data_[Na12In36Ag6Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4958]
_cell_length_b [7.4958]
_cell_length_c [40.4096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na2In6AgSn]
_chemical_formula_sum '[Na12 In36 Ag6 Sn6]'
_cell_volume [1966.3012]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1295  1
  Na  Na1  6  0.0000  0.0000  0.2766  1
  In  In2  18  0.0555  0.5277  0.8675  1
  In  In3  18  0.0647  0.5323  0.7233  1
  Ag  Ag4  3  -0.0000  -0.0000  0.5000  1
  Ag  Ag5  3  0.0000  0.0000  0.0000  1
  Sn  Sn6  6  0.0000  0.0000  0.4204  1
]