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 [7.8420]
_cell_length_b [6.9463]
_cell_length_c [6.6334]
_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 [361.3378]
_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  0.2394  0.6847  0.0152  1
  Ag  Ag1  2  0.0000  0.8519  0.4883  1
  As  As2  2  0.0000  0.1818  0.9972  1
  S  S3  4  0.2291  0.3357  0.8909  1
  S  S4  2  0.0000  0.1847  0.3267  1
  S  S5  2  0.0000  0.8891  0.8735  1
]