data_Gd2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35
_cell_length_b   3.94
_cell_length_c   15.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2S3
_chemical_formula_sum   'Gd8 S12'
_cell_volume   442.46
_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
  Gd  Gd0  1  0.05  0.95  0.17  1.0
  Gd  Gd1  1  0.72  0.95  0.77  1.0
  Gd  Gd2  1  0.63  0.95  0.99  1.0
  Gd  Gd3  1  0.96  0.95  0.66  1.0
  Gd  Gd4  1  0.39  0.98  0.63  1.0
  Gd  Gd5  1  0.72  0.98  0.31  1.0
  Gd  Gd6  1  0.63  0.98  0.52  1.0
  Gd  Gd7  1  0.3  0.98  0.12  1.0
  S  S8  1  0.74  0.95  0.63  1.0
  S  S9  1  0.06  0.95  0.31  1.0
  S  S10  1  0.76  0.95  0.62  1.0
  S  S11  1  0.77  0.95  0.3  1.0
  S  S12  1  0.1  0.95  0.34  1.0
  S  S13  1  0.43  0.95  0.03  1.0
  S  S14  1  0.92  0.98  0.27  1.0
  S  S15  1  0.25  0.98  0.95  1.0
  S  S16  1  0.58  0.98  0.99  1.0
  S  S17  1  0.59  0.98  0.67  1.0
  S  S18  1  0.28  0.98  0.99  1.0
  S  S19  1  0.61  0.98  0.66  1.0

data_Gd2S3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.94
_cell_length_b   7.35
_cell_length_c   15.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Gd2S3
_chemical_formula_sum   'Gd8 S12'
_cell_volume   442.46
_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
  Gd  Gd0  2  0.02  0.04  0.66  1.0
  Gd  Gd1  2  0.02  0.63  0.48  1.0
  Gd  Gd2  2  0.02  0.72  0.99  1.0
  Gd  Gd3  2  0.02  0.95  0.88  1.0
  S  S4  2  0.02  0.24  0.62  1.0
  S  S5  2  0.02  0.58  0.3  1.0
  S  S6  2  0.02  0.61  0.34  1.0
  S  S7  2  0.02  0.9  0.34  1.0
  S  S8  2  0.02  0.92  0.03  1.0
  S  S9  2  0.02  0.94  0.01  1.0

Gd Gd Gd Gd Gd Gd Gd Gd S S S S S S S S S S S S