data_[Ga8S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5470]
_cell_length_b [3.7508]
_cell_length_c [9.8703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9149]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga2S3]
_chemical_formula_sum '[Ga8 S12]'
_cell_volume [496.7548]
_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  0.1102  0.0000  0.8369  1.0
  Ga  Ga1  4  0.1398  0.5000  0.2124  1.0
  S  S2  4  0.0530  0.0000  0.2787  1.0
  S  S3  4  0.1367  0.5000  0.9751  1.0
  S  S4  4  0.2068  0.0000  0.6720  1.0
]