data_[Ag2As2S4]
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 [P-1]
_cell_length_a [5.2764]
_cell_length_b [5.8210]
_cell_length_c [6.5075]
_cell_angle_alpha [111.3595]
_cell_angle_beta [110.3316]
_cell_angle_gamma [93.0922]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AgAsS2]
_chemical_formula_sum '[Ag2 As2 S4]'
_cell_volume [170.7782]
_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  0.3791  0.0916  0.7631  1.0
  As  As1  2  0.1030  0.4204  0.2544  1.0
  S  S2  2  0.1179  0.8024  0.2279  1.0
  S  S3  2  0.3211  0.6268  0.7281  1.0
]