data_Nd5S9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.13
_cell_length_b   12.13
_cell_length_c   9.93
_cell_angle_alpha   98.08
_cell_angle_beta   98.08
_cell_angle_gamma   26.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd5S9
_chemical_formula_sum   'Nd10 S18'
_cell_volume   641.56
_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
  Nd  Nd0  1  0.94  0.26  0.22  1.0
  Nd  Nd1  1  0.61  0.27  0.42  1.0
  Nd  Nd2  1  0.15  0.28  0.12  1.0
  Nd  Nd3  1  0.62  0.21  0.32  1.0
  Nd  Nd4  1  0.44  0.35  0.3  1.0
  Nd  Nd5  1  0.58  0.21  0.51  1.0
  Nd  Nd6  1  0.05  0.28  0.7  1.0
  Nd  Nd7  1  0.59  0.27  0.41  1.0
  Nd  Nd8  1  0.26  0.26  0.6  1.0
  Nd  Nd9  1  0.76  0.35  0.53  1.0
  S  S10  1  0.8  0.51  0.15  1.0
  S  S11  1  0.68  0.27  0.23  1.0
  S  S12  1  0.88  0.23  0.04  1.0
  S  S13  1  0.1  0.35  0.06  1.0
  S  S14  1  0.17  0.27  0.02  1.0
  S  S15  1  0.31  0.23  0.78  1.0
  S  S16  1  0.02  0.27  0.81  1.0
  S  S17  1  0.4  0.51  0.67  1.0
  S  S18  1  0.1  0.35  0.76  1.0
  S  S19  1  0.51  0.27  0.59  1.0
  S  S20  1  0.82  0.89  0.0  1.0
  S  S21  1  0.57  0.65  0.12  1.0
  S  S22  1  0.63  0.65  0.7  1.0
  S  S23  1  0.46  0.91  0.13  1.0
  S  S24  1  0.73  0.91  0.69  1.0
  S  S25  1  0.86  0.65  0.81  1.0
  S  S26  1  0.82  0.65  0.0  1.0
  S  S27  1  0.34  0.65  0.01  1.0

data_Nd5S9
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.53
_cell_length_b   9.93
_cell_length_c   12.13
_cell_angle_alpha   98.08
_cell_angle_beta   103.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd5S9
_chemical_formula_sum   'Nd10 S18'
_cell_volume   641.56
_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
  Nd  Nd0  1  0.21  0.32  0.83  1.0
  Nd  Nd1  1  0.21  0.51  0.79  1.0
  Nd  Nd2  1  0.26  0.22  0.2  1.0
  Nd  Nd3  1  0.26  0.6  0.53  1.0
  Nd  Nd4  1  0.27  0.41  0.86  1.0
  Nd  Nd5  1  0.27  0.42  0.88  1.0
  Nd  Nd6  1  0.28  0.12  0.43  1.0
  Nd  Nd7  1  0.28  0.7  0.33  1.0
  Nd  Nd8  1  0.35  0.3  0.79  1.0
  Nd  Nd9  1  0.35  0.53  0.12  1.0
  S  S10  1  0.23  0.04  0.12  1.0
  S  S11  1  0.23  0.78  0.55  1.0
  S  S12  1  0.27  0.02  0.44  1.0
  S  S13  1  0.27  0.81  0.29  1.0
  S  S14  1  0.27  0.23  0.95  1.0
  S  S15  1  0.27  0.59  0.78  1.0
  S  S16  1  0.35  0.06  0.45  1.0
  S  S17  1  0.35  0.76  0.45  1.0
  S  S18  1  0.51  0.15  0.3  1.0
  S  S19  1  0.51  0.67  0.91  1.0
  S  S20  1  0.65  0.01  0.98  1.0
  S  S21  1  0.65  0.81  0.51  1.0
  S  S22  1  0.65  0.12  0.22  1.0
  S  S23  1  0.65  0.7  0.28  1.0
  S  S24  1  0.65  -0.0  0.47  1.0
  S  S25  1  0.89  0.0  0.71  1.0
  S  S26  1  0.91  0.13  0.37  1.0
  S  S27  1  0.91  0.69  0.64  1.0

Nd Nd Nd Nd Nd Nd Nd Nd Nd Nd S S S S S S S S S S S S S S S S S S