data_[Na4Ag12S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8454]
_cell_length_b [4.1814]
_cell_length_c [9.6668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0009]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaAg3S2]
_chemical_formula_sum '[Na4 Ag12 S8]'
_cell_volume [530.9804]
_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  0.1423  0.0000  0.2922  1.0
  Ag  Ag1  4  0.0844  0.0000  0.7408  1.0
  Ag  Ag2  4  0.1010  0.5000  0.5324  1.0
  Ag  Ag3  4  0.1738  0.5000  0.0332  1.0
  S  S4  4  0.0037  0.5000  0.7833  1.0
  S  S5  4  0.2161  0.0000  0.6664  1.0
]