data_[Na4Ag4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4025]
_cell_length_b [6.1888]
_cell_length_c [11.7443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0317]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaAgSe5]
_chemical_formula_sum '[Na4 Ag4 Se20]'
_cell_volume [714.7650]
_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  0.4748  0.2500  1
  Ag  Ag1  4  0.0000  0.0000  0.0000  1
  Se  Se2  8  0.1341  0.3510  0.9950  1
  Se  Se3  8  0.2340  0.4165  0.6616  1
  Se  Se4  4  0.0000  0.0069  0.2500  1
]