data_[Ga1H2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0288]
_cell_length_b [5.0746]
_cell_length_c [13.3526]
_cell_angle_alpha [88.0061]
_cell_angle_beta [84.1474]
_cell_angle_gamma [76.4957]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ga(HS4)2]
_chemical_formula_sum '[Ga1 H2 S8]'
_cell_volume [264.0432]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  H  H1  2  0.4901  0.5256  0.8537  1
  S  S2  2  0.0523  0.3648  0.9365  1
  S  S3  2  0.2014  0.4020  0.1708  1
  S  S4  2  0.2893  0.9384  0.6475  1
  S  S5  2  0.4608  0.2624  0.5840  1
]