data_[Na4In4Sn20]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.0219]
_cell_length_b [12.0548]
_cell_length_c [6.4864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaInSn5]
_chemical_formula_sum '[Na4 In4 Sn20]'
_cell_volume [820.3374]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.0000  1
  In  In1  4  0.0000  0.4334  0.7500  1
  Sn  Sn2  8  0.2443  0.1350  0.8785  1
  Sn  Sn3  8  0.2470  0.1292  0.3758  1
  Sn  Sn4  4  0.0000  0.2952  0.2500  1
]