data_[Ag6As2S8]
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 [Pmn2_1]
_cell_length_a [7.9542]
_cell_length_b [7.0325]
_cell_length_c [6.6899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ag3AsS4]
_chemical_formula_sum '[Ag6 As2 S8]'
_cell_volume [374.2164]
_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  0.2407  0.6836  0.0130  1.0
  Ag  Ag1  2  0.0000  0.8508  0.4885  1.0
  As  As2  2  0.0000  0.1805  0.9977  1.0
  S  S3  4  0.2296  0.3347  0.8907  1.0
  S  S4  2  0.0000  0.1835  0.3298  1.0
  S  S5  2  0.0000  0.8865  0.8745  1.0
]