data_Nd3Si6N11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.14
_cell_length_b   10.14
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Si6N11
_chemical_formula_sum   'Nd6 Si12 N22'
_cell_volume   502.66
_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  0.85  0.92  0.02  1.0
  Nd  Nd1  1  0.29  0.22  0.02  1.0
  Nd  Nd2  1  0.92  0.29  0.02  1.0
  Nd  Nd3  1  0.22  0.85  0.02  1.0
  Nd  Nd4  1  0.0  0.0  0.82  1.0
  Nd  Nd5  1  0.07  0.07  0.82  1.0
  Si  Si6  1  0.26  0.19  0.2  1.0
  Si  Si7  1  0.88  0.95  0.2  1.0
  Si  Si8  1  0.19  0.88  0.2  1.0
  Si  Si9  1  0.95  0.26  0.2  1.0
  Si  Si10  1  0.8  0.12  0.6  1.0
  Si  Si11  1  0.34  0.02  0.6  1.0
  Si  Si12  1  0.12  0.34  0.6  1.0
  Si  Si13  1  0.27  0.19  0.6  1.0
  Si  Si14  1  0.02  0.8  0.6  1.0
  Si  Si15  1  0.87  0.95  0.6  1.0
  Si  Si16  1  0.95  0.27  0.6  1.0
  Si  Si17  1  0.19  0.87  0.6  1.0
  N  N18  1  0.82  0.81  0.15  1.0
  N  N19  1  0.32  0.33  0.15  1.0
  N  N20  1  0.81  0.32  0.15  1.0
  N  N21  1  0.25  0.88  0.15  1.0
  N  N22  1  0.33  0.82  0.15  1.0
  N  N23  1  0.89  0.26  0.15  1.0
  N  N24  1  0.26  0.25  0.15  1.0
  N  N25  1  0.88  0.89  0.15  1.0
  N  N26  1  0.0  0.07  0.34  1.0
  N  N27  1  0.07  0.0  0.34  1.0
  N  N28  1  0.77  0.33  0.87  1.0
  N  N29  1  0.37  0.81  0.87  1.0
  N  N30  1  0.33  0.37  0.87  1.0
  N  N31  1  0.3  0.39  0.87  1.0
  N  N32  1  0.81  0.77  0.87  1.0
  N  N33  1  0.83  0.74  0.87  1.0
  N  N34  1  0.74  0.3  0.87  1.0
  N  N35  1  0.39  0.83  0.87  1.0
  N  N36  1  0.62  0.55  0.41  1.0
  N  N37  1  0.51  0.58  0.41  1.0
  N  N38  1  0.55  0.51  0.41  1.0
  N  N39  1  0.58  0.62  0.41  1.0

data_Nd3Si6N11
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.89
_cell_length_b   10.14
_cell_length_c   10.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Si6N11
_chemical_formula_sum   'Nd6 Si12 N22'
_cell_volume   502.66
_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  0.02  0.22  0.85  1.0
  Nd  Nd1  1  0.02  0.29  0.22  1.0
  Nd  Nd2  1  0.02  0.85  0.92  1.0
  Nd  Nd3  1  0.02  0.92  0.29  1.0
  Nd  Nd4  1  0.82  0.0  0.0  1.0
  Nd  Nd5  1  0.82  0.07  0.07  1.0
  Si  Si6  1  0.2  0.19  0.88  1.0
  Si  Si7  1  0.2  0.26  0.19  1.0
  Si  Si8  1  0.2  0.88  0.95  1.0
  Si  Si9  1  0.2  0.95  0.26  1.0
  Si  Si10  1  0.6  0.02  0.8  1.0
  Si  Si11  1  0.6  0.12  0.34  1.0
  Si  Si12  1  0.6  0.19  0.87  1.0
  Si  Si13  1  0.6  0.27  0.19  1.0
  Si  Si14  1  0.6  0.34  0.02  1.0
  Si  Si15  1  0.6  0.8  0.12  1.0
  Si  Si16  1  0.6  0.87  0.95  1.0
  Si  Si17  1  0.6  0.95  0.27  1.0
  N  N18  1  0.15  0.25  0.88  1.0
  N  N19  1  0.15  0.26  0.25  1.0
  N  N20  1  0.15  0.32  0.33  1.0
  N  N21  1  0.15  0.33  0.82  1.0
  N  N22  1  0.15  0.81  0.32  1.0
  N  N23  1  0.15  0.82  0.81  1.0
  N  N24  1  0.15  0.88  0.89  1.0
  N  N25  1  0.15  0.89  0.26  1.0
  N  N26  1  0.34  0.0  0.07  1.0
  N  N27  1  0.34  0.07  0.0  1.0
  N  N28  1  0.41  0.51  0.58  1.0
  N  N29  1  0.41  0.55  0.51  1.0
  N  N30  1  0.41  0.58  0.62  1.0
  N  N31  1  0.41  0.62  0.55  1.0
  N  N32  1  0.87  0.3  0.39  1.0
  N  N33  1  0.87  0.33  0.37  1.0
  N  N34  1  0.87  0.37  0.81  1.0
  N  N35  1  0.87  0.39  0.83  1.0
  N  N36  1  0.87  0.74  0.3  1.0
  N  N37  1  0.87  0.77  0.33  1.0
  N  N38  1  0.87  0.81  0.77  1.0
  N  N39  1  0.87  0.83  0.74  1.0

Nd Nd Nd Nd Nd Nd Si Si Si Si Si Si Si Si Si Si Si Si N N N N N N N N N N N N N N N N N N N N N N