data_[Ga2Ag6S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.9173]
_cell_length_b [6.8495]
_cell_length_c [6.7380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [GaAg3S4]
_chemical_formula_sum '[Ga2 Ag6 S8]'
_cell_volume [365.4009]
_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
[
  Ga  Ga0  2  0.0000  0.1681  0.0049  1.0
  Ag  Ag1  4  0.2492  0.3325  0.4959  1.0
  Ag  Ag2  2  0.0000  0.8473  0.4961  1.0
  S  S3  4  0.2382  0.3220  0.1210  1.0
  S  S4  2  0.0000  0.1742  0.6588  1.0
  S  S5  2  0.0000  0.8501  0.1217  1.0
]