data_[Si2Ag10S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  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 [6.6852]
_cell_length_b [11.1540]
_cell_length_c [6.5414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8889]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SiAg5S6]
_chemical_formula_sum '[Si2 Ag10 S12]'
_cell_volume [452.6071]
_cell_formula_units_Z [2]
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
[
  Si  Si0  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  4  0.0000  0.1465  0.5000  1.0
  Ag  Ag2  4  0.0000  0.3242  0.0000  1.0
  Ag  Ag3  2  0.0000  0.5000  0.5000  1.0
  S  S4  8  0.2019  0.1457  0.2447  1.0
  S  S5  4  0.2464  0.0000  0.8215  1.0
]