data_[In12Ag3Sn3S24]
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
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.8530]
_cell_length_b [7.8530]
_cell_length_c [18.9656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [In4AgSnS8]
_chemical_formula_sum '[In12 Ag3 Sn3 S24]'
_cell_volume [1012.9031]
_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  9  0.0131  0.5066  0.5013  1.0
  In  In1  3  0.0000  0.0000  0.3774  1.0
  Ag  Ag2  3  0.0000  0.0000  0.6244  1.0
  Sn  Sn3  3  0.0000  0.0000  0.9944  1.0
  S  S4  9  0.0229  0.5114  0.7534  1.0
  S  S5  9  0.1764  0.3527  0.5802  1.0
  S  S6  3  0.0000  0.0000  0.2405  1.0
  S  S7  3  0.0000  0.0000  0.7586  1.0
]