data_[In16Ag32S48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [8.2212]
_cell_length_b [24.6915]
_cell_length_c [11.5925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [InAg2S3]
_chemical_formula_sum '[In16 Ag32 S48]'
_cell_volume [2353.2219]
_cell_formula_units_Z [16]
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
[
  In  In0  16  0.0095  0.1674  0.4166  1
  Ag  Ag1  16  0.0052  0.3334  0.4201  1
  Ag  Ag2  8  0.0000  0.0000  0.4122  1
  Ag  Ag3  8  0.0000  0.0000  0.9157  1
  S  S4  16  0.0017  0.2503  0.0406  1
  S  S5  16  0.0045  0.0827  0.0399  1
  S  S6  16  0.0063  0.0845  0.5438  1
]