The material structure described by La4NS3Cl3 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one N(1), four equivalent S(1), and three equivalent Cl(1) atoms. In the second La site, La(2) is bonded in a 1-coordinate geometry to one N(1), six equivalent S(1), and three equivalent Cl(1) atoms. N(1) is bonded to one La(2) and three equivalent La(1) atoms to form NLa4 tetrahedra that share corners with six equivalent Cl(1)La4 trigonal pyramids and edges with three equivalent Cl(1)La4 trigonal pyramids. S(1) is bonded in a 6-coordinate geometry to two equivalent La(2) and four equivalent La(1) atoms. Cl(1) is bonded to one La(2) and three equivalent La(1) atoms to form distorted ClLa4 trigonal pyramids that share corners with two equivalent N(1)La4 tetrahedra, corners with eight equivalent Cl(1)La4 trigonal pyramids, and  an edgeedge with one N(1)La4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_La4S3NCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.457
_cell_length_b   9.457
_cell_length_c   7.021
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   543.724
_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
  La  La0  1  0.201  0.402  0.251  1.0
  La  La1  1  0.201  0.799  0.251  1.0
  La  La2  1  0.333  0.667  0.710  1.0
  La  La3  1  0.799  0.201  0.751  1.0
  La  La4  1  0.402  0.201  0.751  1.0
  La  La5  1  0.799  0.598  0.751  1.0
  La  La6  1  0.598  0.799  0.251  1.0
  La  La7  1  0.667  0.333  0.210  1.0
  S  S8  1  0.469  0.531  0.971  1.0
  S  S9  1  0.469  0.937  0.971  1.0
  S  S10  1  0.531  0.063  0.471  1.0
  S  S11  1  0.531  0.469  0.471  1.0
  S  S12  1  0.937  0.469  0.471  1.0
  S  S13  1  0.063  0.531  0.971  1.0
  N  N14  1  0.333  0.667  0.365  1.0
  N  N15  1  0.667  0.333  0.865  1.0
  Cl  Cl16  1  0.868  0.737  0.143  1.0
  Cl  Cl17  1  0.132  0.868  0.643  1.0
  Cl  Cl18  1  0.868  0.132  0.143  1.0
  Cl  Cl19  1  0.132  0.263  0.643  1.0
  Cl  Cl20  1  0.263  0.132  0.143  1.0
  Cl  Cl21  1  0.737  0.868  0.643  1.0
[/CIF]
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The material structure described by La4NS3Cl3 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one N(1), four equivalent S(1), and three equivalent Cl(1) atoms. In the second La site, La(2) is bonded in a 1-coordinate geometry to one N(1), six equivalent S(1), and three equivalent Cl(1) atoms. N(1) is bonded to one La(2) and three equivalent La(1) atoms to form NLa4 tetrahedra that share corners with six equivalent Cl(1)La4 trigonal pyramids and edges with three equivalent Cl(1)La4 trigonal pyramids. S(1) is bonded in a 6-coordinate geometry to two equivalent La(2) and four equivalent La(1) atoms. Cl(1) is bonded to one La(2) and three equivalent La(1) atoms to form distorted ClLa4 trigonal pyramids that share corners with two equivalent N(1)La4 tetrahedra, corners with eight equivalent Cl(1)La4 trigonal pyramids, and  an edgeedge with one N(1)La4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_La4S3NCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.457
_cell_length_b   9.457
_cell_length_c   7.021
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   543.724
_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
  La  La0  1  0.201  0.402  0.251  1.0
  La  La1  1  0.201  0.799  0.251  1.0
  La  La2  1  0.333  0.667  0.710  1.0
  La  La3  1  0.799  0.201  0.751  1.0
  La  La4  1  0.402  0.201  0.751  1.0
  La  La5  1  0.799  0.598  0.751  1.0
  La  La6  1  0.598  0.799  0.251  1.0
  La  La7  1  0.667  0.333  0.210  1.0
  S  S8  1  0.469  0.531  0.971  1.0
  S  S9  1  0.469  0.937  0.971  1.0
  S  S10  1  0.531  0.063  0.471  1.0
  S  S11  1  0.531  0.469  0.471  1.0
  S  S12  1  0.937  0.469  0.471  1.0
  S  S13  1  0.063  0.531  0.971  1.0
  N  N14  1  0.333  0.667  0.365  1.0
  N  N15  1  0.667  0.333  0.865  1.0
  Cl  Cl16  1  0.868  0.737  0.143  1.0
  Cl  Cl17  1  0.132  0.868  0.643  1.0
  Cl  Cl18  1  0.868  0.132  0.143  1.0
  Cl  Cl19  1  0.132  0.263  0.643  1.0
  Cl  Cl20  1  0.263  0.132  0.143  1.0
  Cl  Cl21  1  0.737  0.868  0.643  1.0
[/CIF]
.