data_[Ag10Sb2S12]
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 [C2/m]
_cell_length_a [6.7627]
_cell_length_b [11.3317]
_cell_length_c [6.6636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag5SbS6]
_chemical_formula_sum '[Ag10 Sb2 S12]'
_cell_volume [475.6689]
_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  4  0.0000  0.1543  0.5000  1.0
  Ag  Ag1  4  0.0000  0.3272  0.0000  1.0
  Ag  Ag2  2  0.0000  0.5000  0.5000  1.0
  Sb  Sb3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2197  0.1601  0.2624  1.0
  S  S5  4  0.2384  0.5000  0.2067  1.0
]