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 [P2_1]
_cell_length_a [5.2512]
_cell_length_b [4.4032]
_cell_length_c [7.7073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0523]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [AgAsS2]
_chemical_formula_sum '[Ag2 As2 S4]'
_cell_volume [178.2060]
_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  0.1485  0.8289  0.1098  1.0
  As  As1  2  0.2818  0.8102  0.6198  1.0
  S  S2  2  0.2877  0.1670  0.3886  1.0
  S  S3  2  0.3070  0.1272  0.8483  1.0
]