data_[Ga4Ag4S8]
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 [Cc]
_cell_length_a [8.1684]
_cell_length_b [8.1766]
_cell_length_c [6.6328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.0813]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [GaAgS2]
_chemical_formula_sum '[Ga4 Ag4 S8]'
_cell_volume [353.4196]
_cell_formula_units_Z [4]
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  4  0.0098  0.3775  0.4923  1.0
  Ag  Ag1  4  0.4972  0.3968  0.4947  1.0
  S  S2  4  0.1077  0.3856  0.2304  1.0
  S  S3  4  0.1573  0.1526  0.7576  1.0
]