data_[Ag2Sb6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.0528]
_cell_length_b [3.8203]
_cell_length_c [12.9654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ag(SbS2)3]
_chemical_formula_sum '[Ag2 Sb6 S12]'
_cell_volume [489.5342]
_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  0.0292  0.7500  0.6406  1.0
  Sb  Sb1  2  0.1293  0.7500  0.1008  1.0
  Sb  Sb2  2  0.3260  0.2500  0.5531  1.0
  Sb  Sb3  2  0.4289  0.7500  0.8193  1.0
  S  S4  2  0.1295  0.2500  0.9537  1.0
  S  S5  2  0.1326  0.2500  0.2365  1.0
  S  S6  2  0.1444  0.7500  0.4855  1.0
  S  S7  2  0.2340  0.2500  0.7191  1.0
  S  S8  2  0.4014  0.7500  0.1033  1.0
  S  S9  2  0.4927  0.2500  0.3506  1.0
]