data_[Ga4H4S8]
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 [Pna2_1]
_cell_length_a [6.5845]
_cell_length_b [8.2022]
_cell_length_c [6.0468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [GaHS2]
_chemical_formula_sum '[Ga4 H4 S8]'
_cell_volume [326.5698]
_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  0.0541  0.8882  0.9163  1.0
  H  H1  4  0.1354  0.3121  0.7505  1.0
  S  S2  4  0.0688  0.8763  0.5454  1.0
  S  S3  4  0.0991  0.3589  0.5376  1.0
]