data_[Ag4As4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4615]
_cell_length_b [7.1731]
_cell_length_c [7.8766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.6270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AgAsS3]
_chemical_formula_sum '[Ag4 As4 S12]'
_cell_volume [526.3630]
_cell_formula_units_Z [4]
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  0.2551  0.0000  1.0
  As  As1  4  0.1495  0.5000  0.7159  1.0
  S  S2  4  0.0000  0.2683  0.5000  1.0
  S  S3  4  0.1599  0.0000  0.2775  1.0
  S  S4  4  0.1729  0.5000  0.0102  1.0
]