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 [Cc]
_cell_length_a [6.4759]
_cell_length_b [11.3955]
_cell_length_c [6.4245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6249]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Ga2S3]
_chemical_formula_sum '[Ga8 S12]'
_cell_volume [449.2780]
_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  0.3281  0.5844  0.8940  1.0
  Ga  Ga1  4  0.3615  0.2473  0.8979  1.0
  S  S2  4  0.4667  0.0877  0.7592  1.0
  S  S3  4  0.4776  0.2485  0.2823  1.0
  S  S4  4  0.4821  0.5790  0.2772  1.0
]