data_[Ag4B2As2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  B  2.0400  0.8500  0.4100
  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 [8.2223]
_cell_length_b [6.5657]
_cell_length_c [5.9516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ag2BAsS4]
_chemical_formula_sum '[Ag4 B2 As2 S8]'
_cell_volume [321.2982]
_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  0.2482  0.6753  0.0029  1.0
  B  B1  2  0.0000  0.1509  0.9897  1.0
  As  As2  2  0.0000  0.8177  0.4751  1.0
  S  S3  4  0.1945  0.2938  0.9163  1.0
  S  S4  2  0.0000  0.1415  0.3280  1.0
  S  S5  2  0.0000  0.8758  0.8687  1.0
]