data_[Ag6B2S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.3795]
_cell_length_b [6.4703]
_cell_length_c [6.6120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ag3BS4]
_chemical_formula_sum '[Ag6 B2 S8]'
_cell_volume [315.7038]
_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  0.2378  0.6848  0.5180  1.0
  Ag  Ag1  2  0.0000  0.1062  0.5105  1.0
  B  B2  2  0.0000  0.8192  0.9846  1.0
  S  S3  4  0.2182  0.6857  0.8944  1.0
  S  S4  2  0.0000  0.0999  0.8901  1.0
  S  S5  2  0.0000  0.8043  0.2746  1.0
]