data_[Na8Sn4As4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1919]
_cell_length_b [18.8395]
_cell_length_c [12.4473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2SnAsSe5]
_chemical_formula_sum '[Na8 Sn4 As4 Se20]'
_cell_volume [983.0152]
_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  0.1050  0.3293  1.0
  Na  Na1  4  0.0000  0.1095  0.6559  1.0
  Sn  Sn2  4  0.0000  0.2306  0.0410  1.0
  As  As3  4  0.0000  0.4292  0.4338  1.0
  Se  Se4  4  0.0000  0.0523  0.0347  1.0
  Se  Se5  4  0.0000  0.2826  0.6809  1.0
  Se  Se6  4  0.0000  0.3050  0.3857  1.0
  Se  Se7  4  0.0000  0.3611  0.9926  1.0
  Se  Se8  4  0.0000  0.4891  0.2701  1.0
]