data_[Ag2Bi12S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7770]
_cell_length_b [4.0930]
_cell_length_c [15.0778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag(Bi2S3)3]
_chemical_formula_sum '[Ag2 Bi12 S18]'
_cell_volume [839.2670]
_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
[
  Ag  Ag0  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi1  4  0.0587  0.5000  0.8096  1.0
  Bi  Bi2  4  0.1470  0.0000  0.0642  1.0
  Bi  Bi3  4  0.2499  0.5000  0.3827  1.0
  S  S4  4  0.0785  0.0000  0.2260  1.0
  S  S5  4  0.1148  0.5000  0.6473  1.0
  S  S6  4  0.1434  0.0000  0.4577  1.0
  S  S7  4  0.2087  0.0000  0.8854  1.0
  S  S8  2  0.0000  0.5000  0.0000  1.0
]