data_[Ga2S6]
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 [P2_1/m]
_cell_length_a [5.6493]
_cell_length_b [3.5470]
_cell_length_c [8.8966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [GaS3]
_chemical_formula_sum '[Ga2 S6]'
_cell_volume [169.2901]
_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  0.3689  0.7500  0.6022  1.0
  S  S1  2  0.2151  0.2500  0.4149  1.0
  S  S2  2  0.2531  0.7500  0.0490  1.0
  S  S3  2  0.3976  0.2500  0.8182  1.0
]