data_[Na8Sn4P4Se20]
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
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1163]
_cell_length_b [18.4840]
_cell_length_c [12.7105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2SnPSe5]
_chemical_formula_sum '[Na8 Sn4 P4 Se20]'
_cell_volume [967.0914]
_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  0.1041  0.3406  1.0
  Na  Na1  4  0.0000  0.1162  0.6647  1.0
  Sn  Sn2  4  0.0000  0.2214  0.0416  1.0
  P  P3  4  0.0000  0.4300  0.4248  1.0
  Se  Se4  4  0.0000  0.0512  0.0125  1.0
  Se  Se5  4  0.0000  0.2923  0.6798  1.0
  Se  Se6  4  0.0000  0.3106  0.3854  1.0
  Se  Se7  4  0.0000  0.3559  0.0006  1.0
  Se  Se8  4  0.0000  0.4887  0.2739  1.0
]