data_[Na8In4Sn4Se20]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8576]
_cell_length_b [20.0844]
_cell_length_c [13.0098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2InSnSe5]
_chemical_formula_sum '[Na8 In4 Sn4 Se20]'
_cell_volume [1007.9593]
_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  0.1049  0.6504  1
  Na  Na1  4  0.0000  0.1171  0.2963  1
  In  In2  4  0.0000  0.2457  0.0419  1
  Sn  Sn3  4  0.0000  0.4264  0.4390  1
  Se  Se4  4  0.0000  0.0467  0.0654  1
  Se  Se5  4  0.0000  0.2662  0.6845  1
  Se  Se6  4  0.0000  0.2999  0.3992  1
  Se  Se7  4  0.0000  0.3683  0.9776  1
  Se  Se8  4  0.0000  0.4863  0.2696  1
]