data_GaS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   15.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaS
_chemical_formula_sum   'Ga4 S4'
_cell_volume   181.27
_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  1  0.0  0.09  0.22  1.0
  Ga  Ga1  1  0.81  0.05  0.7  1.0
  Ga  Ga2  1  0.81  0.05  0.18  1.0
  Ga  Ga3  1  0.0  0.09  0.74  1.0
  S  S4  1  0.0  0.09  0.26  1.0
  S  S5  1  0.81  0.05  0.66  1.0
  S  S6  1  0.81  0.05  0.3  1.0
  S  S7  1  0.0  0.09  0.62  1.0

data_GaS
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   15.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   GaS
_chemical_formula_sum   'Ga4 S4'
_cell_volume   181.27
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.41  0.98  0.24  1.0
  Ga  Ga1  2  0.41  0.98  0.72  1.0
  S  S2  2  0.41  0.98  0.2  1.0
  S  S3  2  0.41  0.98  0.84  1.0

Ga Ga Ga Ga S S S S