data_[Ag4Bi4S16]
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/c]
_cell_length_a [8.0097]
_cell_length_b [10.1282]
_cell_length_c [7.9120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AgBiS4]
_chemical_formula_sum '[Ag4 Bi4 S16]'
_cell_volume [587.7265]
_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
[
  Ag  Ag0  4  0.0000  0.1448  0.7500  1
  Bi  Bi1  4  0.0000  0.3933  0.2500  1
  S  S2  8  0.2139  0.2039  0.1887  1
  S  S3  8  0.2489  0.0508  0.3751  1
]