data_Gd3AlNiS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.62
_cell_length_b   9.62
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd3AlNiS7
_chemical_formula_sum   'Gd6 Al2 Ni2 S14'
_cell_volume   495.77
_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
  Gd  Gd2  1  0.68  0.13  0.41  1.0
  Gd  Gd3  1  0.26  0.49  0.41  1.0
  Gd  Gd4  1  0.06  0.04  0.41  1.0
  Gd  Gd5  1  0.75  0.29  0.5  1.0
  Gd  Gd6  1  0.55  0.84  0.5  1.0
  Gd  Gd7  1  0.12  0.2  0.5  1.0
  Al  Al0  1  0.81  0.78  0.95  1.0
  Al  Al1  1  0.0  0.55  0.05  1.0
  Ni  Ni8  1  0.0  0.0  0.34  1.0
  Ni  Ni9  1  0.0  0.0  0.43  1.0
  S  S10  1  0.16  0.98  0.01  1.0
  S  S11  1  0.59  0.75  0.01  1.0
  S  S12  1  0.68  0.6  0.01  1.0
  S  S13  1  0.0  0.55  0.09  1.0
  S  S14  1  0.88  0.82  0.97  1.0
  S  S15  1  0.58  0.1  0.97  1.0
  S  S16  1  0.97  0.41  0.97  1.0
  S  S17  1  0.65  0.34  0.1  1.0
  S  S18  1  0.22  0.58  0.1  1.0
  S  S19  1  0.13  0.73  0.1  1.0
  S  S20  1  0.81  0.78  0.19  1.0
  S  S21  1  0.84  0.92  0.06  1.0
  S  S22  1  0.23  0.23  0.06  1.0
  S  S23  1  0.93  0.51  0.06  1.0

data_Gd3AlNiS7
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.19
_cell_length_b   9.62
_cell_length_c   9.62
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd3AlNiS7
_chemical_formula_sum   'Gd6 Al2 Ni2 S14'
_cell_volume   495.77
_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
  Gd  Gd0  1  0.41  0.06  0.04  1.0
  Gd  Gd1  1  0.41  0.26  0.49  1.0
  Gd  Gd2  1  0.41  0.68  0.13  1.0
  Gd  Gd3  1  0.5  0.12  0.2  1.0
  Gd  Gd4  1  0.5  0.55  0.84  1.0
  Gd  Gd5  1  0.5  0.75  0.29  1.0
  Al  Al6  1  0.05  0.0  0.55  1.0
  Al  Al7  1  0.95  0.81  0.78  1.0
  Ni  Ni8  1  0.34  0.0  0.0  1.0
  Ni  Ni9  1  0.43  0.0  0.0  1.0
  S  S10  1  0.01  0.16  0.98  1.0
  S  S11  1  0.01  0.59  0.75  1.0
  S  S12  1  0.01  0.68  0.6  1.0
  S  S13  1  0.06  0.23  0.23  1.0
  S  S14  1  0.06  0.84  0.92  1.0
  S  S15  1  0.06  0.93  0.51  1.0
  S  S16  1  0.09  0.0  0.55  1.0
  S  S17  1  0.1  0.13  0.73  1.0
  S  S18  1  0.1  0.22  0.58  1.0
  S  S19  1  0.1  0.65  0.34  1.0
  S  S20  1  0.19  0.81  0.78  1.0
  S  S21  1  0.97  0.58  0.1  1.0
  S  S22  1  0.97  0.88  0.82  1.0
  S  S23  1  0.97  0.97  0.41  1.0

Gd Gd Gd Gd Gd Gd Al Al Ni Ni S S S S S S S S S S S S S S
Gd Gd Gd Gd Gd Gd Al Al Ni Ni S S S S S S S S S S S S S S 0 3 o o o 0 4 o - o 1 18 o o o 1 5 o o o 2 9 o o o 2 5 o o o 2 8 o o o 3 17 o o o 5 9 o o o 6 14 o o o 6 11 o o + 6 12 o o + 6 20 o o + 6 21 o o + 7 13 o o o 7 16 - o - 7 18 o o o 7 19 o o o 7 23 - o o 8 9 o o o 8 10 o - o 10 14 - o - 10 22 o + o 10 19 o o o 11 12 o o o 11 21 o o o 11 20 o o o 12 20 o o o 12 17 o o o 13 16 - o - 13 18 o o o 13 19 o o o 13 23 - o o 14 20 o o + 14 21 o o + 15 17 o o + 16 23 o o + 16 18 + o + 17 23 o o o 18 19 o o o 20 21 o o o 