data_[In18Ag3S24]
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 [R-3]
_cell_length_a [11.6387]
_cell_length_b [11.6387]
_cell_length_c [11.1127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [In6AgS8]
_chemical_formula_sum '[In18 Ag3 S24]'
_cell_volume [1303.6446]
_cell_formula_units_Z [3]
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  18  0.0053  0.8119  0.3517  1
  Ag  Ag1  3  0.0000  0.0000  0.0000  1
  S  S2  18  0.0118  0.7528  0.5894  1
  S  S3  6  0.0000  0.0000  0.2141  1
]