The crystal structure described by Nd4NS3Cl3 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 4-coordinate geometry to one N(1), three equivalent S(1), and three equivalent Cl(1) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one N(1), four equivalent S(1), and three equivalent Cl(1) atoms. N(1) is bonded to one Nd(1) and three equivalent Nd(2) atoms to form NNd4 tetrahedra that share corners with six equivalent Cl(1)Nd4 trigonal pyramids and edges with three equivalent Cl(1)Nd4 trigonal pyramids. S(1) is bonded in a 5-coordinate geometry to one Nd(1) and four equivalent Nd(2) atoms. Cl(1) is bonded to one Nd(1) and three equivalent Nd(2) atoms to form distorted ClNd4 trigonal pyramids that share corners with two equivalent N(1)Nd4 tetrahedra, corners with eight equivalent Cl(1)Nd4 trigonal pyramids, and  an edgeedge with one N(1)Nd4 tetrahedra. is represented by the CIF card [CIF]
data_Nd4S3NCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.372
_cell_length_b   9.372
_cell_length_c   6.885
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   523.692
_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  0.667  0.333  0.287  1.0
  Nd  Nd1  1  0.202  0.798  0.252  1.0
  Nd  Nd2  1  0.798  0.596  0.752  1.0
  Nd  Nd3  1  0.798  0.202  0.752  1.0
  Nd  Nd4  1  0.596  0.798  0.252  1.0
  Nd  Nd5  1  0.333  0.667  0.787  1.0
  Nd  Nd6  1  0.202  0.404  0.252  1.0
  Nd  Nd7  1  0.404  0.202  0.752  1.0
  S  S8  1  0.533  0.467  0.030  1.0
  S  S9  1  0.533  0.065  0.030  1.0
  S  S10  1  0.065  0.533  0.530  1.0
  S  S11  1  0.935  0.467  0.030  1.0
  S  S12  1  0.467  0.935  0.530  1.0
  S  S13  1  0.467  0.533  0.530  1.0
  N  N14  1  0.667  0.333  0.631  1.0
  N  N15  1  0.333  0.667  0.131  1.0
  Cl  Cl16  1  0.131  0.263  0.862  1.0
  Cl  Cl17  1  0.737  0.869  0.862  1.0
  Cl  Cl18  1  0.263  0.131  0.362  1.0
  Cl  Cl19  1  0.869  0.131  0.362  1.0
  Cl  Cl20  1  0.869  0.737  0.362  1.0
  Cl  Cl21  1  0.131  0.869  0.862  1.0
[/CIF]
.
The crystal structure described by Nd4NS3Cl3 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 4-coordinate geometry to one N(1), three equivalent S(1), and three equivalent Cl(1) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one N(1), four equivalent S(1), and three equivalent Cl(1) atoms. N(1) is bonded to one Nd(1) and three equivalent Nd(2) atoms to form NNd4 tetrahedra that share corners with six equivalent Cl(1)Nd4 trigonal pyramids and edges with three equivalent Cl(1)Nd4 trigonal pyramids. S(1) is bonded in a 5-coordinate geometry to one Nd(1) and four equivalent Nd(2) atoms. Cl(1) is bonded to one Nd(1) and three equivalent Nd(2) atoms to form distorted ClNd4 trigonal pyramids that share corners with two equivalent N(1)Nd4 tetrahedra, corners with eight equivalent Cl(1)Nd4 trigonal pyramids, and  an edgeedge with one N(1)Nd4 tetrahedra. is represented by the CIF card [CIF]
data_Nd4S3NCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.372
_cell_length_b   9.372
_cell_length_c   6.885
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   523.692
_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  0.667  0.333  0.287  1.0
  Nd  Nd1  1  0.202  0.798  0.252  1.0
  Nd  Nd2  1  0.798  0.596  0.752  1.0
  Nd  Nd3  1  0.798  0.202  0.752  1.0
  Nd  Nd4  1  0.596  0.798  0.252  1.0
  Nd  Nd5  1  0.333  0.667  0.787  1.0
  Nd  Nd6  1  0.202  0.404  0.252  1.0
  Nd  Nd7  1  0.404  0.202  0.752  1.0
  S  S8  1  0.533  0.467  0.030  1.0
  S  S9  1  0.533  0.065  0.030  1.0
  S  S10  1  0.065  0.533  0.530  1.0
  S  S11  1  0.935  0.467  0.030  1.0
  S  S12  1  0.467  0.935  0.530  1.0
  S  S13  1  0.467  0.533  0.530  1.0
  N  N14  1  0.667  0.333  0.631  1.0
  N  N15  1  0.333  0.667  0.131  1.0
  Cl  Cl16  1  0.131  0.263  0.862  1.0
  Cl  Cl17  1  0.737  0.869  0.862  1.0
  Cl  Cl18  1  0.263  0.131  0.362  1.0
  Cl  Cl19  1  0.869  0.131  0.362  1.0
  Cl  Cl20  1  0.869  0.737  0.362  1.0
  Cl  Cl21  1  0.131  0.869  0.862  1.0
[/CIF]
.