The crystal structure described by La6Fe10Al3As crystallizes in the orthorhombic Fmm2 space group. There are six inequivalent La sites. In the first La site, La(1) is bonded in a 13-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(9), two equivalent Al(1), and one As(1) atom. In the second La site, La(2) is bonded in a 13-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(5), two equivalent Fe(6), two equivalent Al(2), two equivalent Al(3), and one As(1) atom. In the third La site, La(3) is bonded in a 6-coordinate geometry to one Fe(3), one Fe(9), two equivalent Al(1), and two equivalent As(1) atoms. In the fourth La site, La(4) is bonded in a 6-coordinate geometry to one Fe(4), two equivalent Fe(9), one Al(1), and two equivalent As(1) atoms. In the fifth La site, La(5) is bonded in a 6-coordinate geometry to one Fe(5), one Al(2), two equivalent Al(3), and two equivalent As(1) atoms. In the sixth La site, La(6) is bonded in a 6-coordinate geometry to one Fe(6), one Al(3), two equivalent Al(2), and two equivalent As(1) atoms. There are nine inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one La(1), one La(2), one Fe(1), one Fe(3), one Fe(4), one Fe(5), one Fe(6), one Fe(7), two equivalent Fe(2), one Al(1), and one Al(3) atom to form distorted FeLa2Al2Fe8 cuboctahedra that share  a cornercorner with one Fe(8)Al2Fe10 cuboctahedra,  a cornercorner with one Fe(1)La2Al2Fe8 cuboctahedra,  a cornercorner with one Fe(9)La5Fe7 cuboctahedra, corners with two equivalent Fe(2)La2AlFe9 cuboctahedra,  an edgeedge with one Fe(3)La3Al2Fe7 cuboctahedra,  a faceface with one Fe(8)Al2Fe10 cuboctahedra,  a faceface with one Fe(7)Al4Fe8 cuboctahedra, faces with two equivalent Fe(3)La3Al2Fe7 cuboctahedra, faces with two equivalent Fe(9)La5Fe7 cuboctahedra, faces with three equivalent Fe(1)La2Al2Fe8 cuboctahedra, and faces with four equivalent Fe(2)La2AlFe9 cuboctahedra. In the second Fe site, Fe(2) is bonded to one La(1), one La(2), one Fe(2), one Fe(3), one Fe(4), one Fe(5), one Fe(6), one Fe(8), one Fe(9), two equivalent Fe(1), and one Al(2) atom to form FeLa2AlFe9 cuboctahedra that share  a cornercorner with one Fe(7)Al4Fe8 cuboctahedra,  a cornercorner with one Fe(2)La2AlFe9 cuboctahedra,  a cornercorner with one Fe(9)La5Fe7 cuboctahedra, corners with two equivalent Fe(1)La2Al2Fe8 cuboctahedra,  an edgeedge with one Fe(3)La3Al2Fe7 cuboctahedra,  a faceface with one Fe(8)Al2Fe10 cuboctahedra,  a faceface with one Fe(7)Al4Fe8 cuboctahedra,  a faceface with one Fe(3)La3Al2Fe7 cuboctahedra, faces with two equivalent Fe(9)La5Fe7 cuboctahedra, faces with three equivalent Fe(2)La2AlFe9 cuboctahedra, and faces with four equivalent Fe(1)La2Al2Fe8 cuboctahedra. In the third Fe site, Fe(3) is bonded to one La(3), two equivalent La(1), one Fe(5), one Fe(7), one Fe(9), two equivalent Fe(1), two equivalent Fe(2), and two equivalent Al(1) atoms to form distorted FeLa3Al2Fe7 cuboctahedra that share corners with two equivalent Fe(3)La3Al2Fe7 cuboctahedra, corners with three equivalent Fe(9)La5Fe7 cuboctahedra, edges with two equivalent Fe(1)La2Al2Fe8 cuboctahedra, edges with two equivalent Fe(2)La2AlFe9 cuboctahedra,  a faceface with one Fe(8)Al2Fe10 cuboctahedra,  a faceface with one Fe(7)Al4Fe8 cuboctahedra,  a faceface with one Fe(3)La3Al2Fe7 cuboctahedra,  a faceface with one Fe(9)La5Fe7 cuboctahedra, faces with two equivalent Fe(2)La2AlFe9 cuboctahedra, and faces with four equivalent Fe(1)La2Al2Fe8 cuboctahedra. In the fourth Fe site, Fe(4) is bonded in a 12-coordinate geometry to one La(4), two equivalent La(1), one Fe(6), one Fe(8), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(9), and one Al(1) atom. In the fifth Fe site, Fe(5) is bonded in a 12-coordinate geometry to one La(5), two equivalent La(2), one Fe(3), one Fe(7), two equivalent Fe(1), two equivalent Fe(2), one Al(2), and two equivalent Al(3) atoms. In the sixth Fe site, Fe(6) is bonded in a 12-coordinate geometry to one La(6), two equivalent La(2), one Fe(4), one Fe(8), two equivalent Fe(1), two equivalent Fe(2), one Al(3), and two equivalent Al(2) atoms. In the seventh Fe site, Fe(7) is bonded to two equivalent Fe(3), two equivalent Fe(5), four equivalent Fe(1), two equivalent Al(1), and two equivalent Al(3) atoms to form FeAl4Fe8 cuboctahedra that share corners with two equivalent Fe(9)La5Fe7 cuboctahedra, corners with four equivalent Fe(2)La2AlFe9 cuboctahedra, faces with two equivalent Fe(3)La3Al2Fe7 cuboctahedra, faces with four equivalent Fe(1)La2Al2Fe8 cuboctahedra, and faces with four equivalent Fe(2)La2AlFe9 cuboctahedra. In the eighth Fe site, Fe(8) is bonded to two equivalent Fe(4), two equivalent Fe(6), two equivalent Fe(9), four equivalent Fe(2), and two equivalent Al(2) atoms to form FeAl2Fe10 cuboctahedra that share corners with four equivalent Fe(1)La2Al2Fe8 cuboctahedra, faces with two equivalent Fe(3)La3Al2Fe7 cuboctahedra, faces with two equivalent Fe(9)La5Fe7 cuboctahedra, faces with four equivalent Fe(1)La2Al2Fe8 cuboctahedra, and faces with four equivalent Fe(2)La2AlFe9 cuboctahedra. In the ninth Fe site, Fe(9) is bonded to one La(3), two equivalent La(1), two equivalent La(4), one Fe(3), one Fe(8), one Fe(9), two equivalent Fe(2), and two equivalent Fe(4) atoms to form distorted FeLa5Fe7 cuboctahedra that share  a cornercorner with one Fe(7)Al4Fe8 cuboctahedra, corners with two equivalent Fe(1)La2Al2Fe8 cuboctahedra, corners with two equivalent Fe(2)La2AlFe9 cuboctahedra, corners with two equivalent Fe(9)La5Fe7 cuboctahedra, corners with three equivalent Fe(3)La3Al2Fe7 cuboctahedra,  a faceface with one Fe(8)Al2Fe10 cuboctahedra,  a faceface with one Fe(3)La3Al2Fe7 cuboctahedra,  a faceface with one Fe(9)La5Fe7 cuboctahedra, faces with four equivalent Fe(1)La2Al2Fe8 cuboctahedra, and faces with four equivalent Fe(2)La2AlFe9 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to one La(4), two equivalent La(1), two equivalent La(3), one Fe(4), one Fe(7), two equivalent Fe(1), two equivalent Fe(3), and one Al(1) atom. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to one La(5), two equivalent La(2), two equivalent La(6), one Fe(5), one Fe(8), two equivalent Fe(2), two equivalent Fe(6), and one Al(2) atom. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to one La(6), two equivalent La(2), two equivalent La(5), one Fe(6), one Fe(7), two equivalent Fe(1), two equivalent Fe(5), and one Al(3) atom. As(1) is bonded in a distorted q6 geometry to one La(1), one La(2), two equivalent La(3), two equivalent La(4), two equivalent La(5), and two equivalent La(6) atoms. is represented by the CIF card [CIF]
data_La6Al3Fe10As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.125
_cell_length_b   8.125
_cell_length_c   13.011
_cell_angle_alpha   71.656
_cell_angle_beta   71.656
_cell_angle_gamma   89.542
_symmetry_Int_Tables_number   1
_cell_volume   769.853
_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  0.893  0.893  0.214  1.0
  La  La1  1  0.393  0.393  0.214  1.0
  La  La2  1  0.107  0.107  0.786  1.0
  La  La3  1  0.607  0.607  0.786  1.0
  La  La4  1  0.991  0.131  0.378  1.0
  La  La5  1  0.631  0.491  0.378  1.0
  La  La6  1  0.155  0.655  0.369  1.0
  La  La7  1  0.476  0.976  0.369  1.0
  La  La8  1  0.021  0.860  0.620  1.0
  La  La9  1  0.360  0.521  0.620  1.0
  La  La10  1  0.865  0.365  0.613  1.0
  La  La11  1  0.522  0.022  0.613  1.0
  Al  Al12  1  0.024  0.524  0.187  1.0
  Al  Al13  1  0.789  0.289  0.187  1.0
  Al  Al14  1  0.715  0.973  0.813  1.0
  Al  Al15  1  0.473  0.215  0.813  1.0
  Al  Al16  1  0.974  0.474  0.815  1.0
  Al  Al17  1  0.211  0.711  0.815  1.0
  Fe  Fe18  1  0.070  0.789  0.003  1.0
  Fe  Fe19  1  0.927  0.209  0.003  1.0
  Fe  Fe20  1  0.431  0.290  0.001  1.0
  Fe  Fe21  1  0.569  0.710  0.001  1.0
  Fe  Fe22  1  0.790  0.931  0.001  1.0
  Fe  Fe23  1  0.210  0.069  0.001  1.0
  Fe  Fe24  1  0.289  0.570  0.003  1.0
  Fe  Fe25  1  0.709  0.427  0.003  1.0
  Fe  Fe26  1  0.122  0.258  0.120  1.0
  Fe  Fe27  1  0.758  0.622  0.120  1.0
  Fe  Fe28  1  0.270  0.770  0.115  1.0
  Fe  Fe29  1  0.615  0.115  0.115  1.0
  Fe  Fe30  1  0.880  0.728  0.892  1.0
  Fe  Fe31  1  0.228  0.380  0.892  1.0
  Fe  Fe32  1  0.733  0.233  0.885  1.0
  Fe  Fe33  1  0.382  0.882  0.885  1.0
  Fe  Fe34  1  0.998  0.498  0.004  1.0
  Fe  Fe35  1  0.501  0.001  0.997  1.0
  Fe  Fe36  1  0.293  0.022  0.186  1.0
  Fe  Fe37  1  0.522  0.793  0.186  1.0
  As  As38  1  0.750  0.750  0.500  1.0
  As  As39  1  0.250  0.250  0.500  1.0
[/CIF]
.
The crystal structure described by La6Fe10Al3As crystallizes in the orthorhombic Fmm2 space group. There are six inequivalent La sites. In the first La site, La(1) is bonded in a 13-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), two equivalent Fe(9), two equivalent Al(1), and one As(1) atom. In the second La site, La(2) is bonded in a 13-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(5), two equivalent Fe(6), two equivalent Al(2), two equivalent Al(3), and one As(1) atom. In the third La site, La(3) is bonded in a 6-coordinate geometry to one Fe(3), one Fe(9), two equivalent Al(1), and two equivalent As(1) atoms. In the fourth La site, La(4) is bonded in a 6-coordinate geometry to one Fe(4), two equivalent Fe(9), one Al(1), and two equivalent As(1) atoms. In the fifth La site, La(5) is bonded in a 6-coordinate geometry to one Fe(5), one Al(2), two equivalent Al(3), and two equivalent As(1) atoms. In the sixth La site, La(6) is bonded in a 6-coordinate geometry to one Fe(6), one Al(3), two equivalent Al(2), and two equivalent As(1) atoms. There are nine inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one La(1), one La(2), one Fe(1), one Fe(3), one Fe(4), one Fe(5), one Fe(6), one Fe(7), two equivalent Fe(2), one Al(1), and one Al(3) atom to form distorted FeLa2Al2Fe8 cuboctahedra that share  a cornercorner with one Fe(8)Al2Fe10 cuboctahedra,  a cornercorner with one Fe(1)La2Al2Fe8 cuboctahedra,  a cornercorner with one Fe(9)La5Fe7 cuboctahedra, corners with two equivalent Fe(2)La2AlFe9 cuboctahedra,  an edgeedge with one Fe(3)La3Al2Fe7 cuboctahedra,  a faceface with one Fe(8)Al2Fe10 cuboctahedra,  a faceface with one Fe(7)Al4Fe8 cuboctahedra, faces with two equivalent Fe(3)La3Al2Fe7 cuboctahedra, faces with two equivalent Fe(9)La5Fe7 cuboctahedra, faces with three equivalent Fe(1)La2Al2Fe8 cuboctahedra, and faces with four equivalent Fe(2)La2AlFe9 cuboctahedra. In the second Fe site, Fe(2) is bonded to one La(1), one La(2), one Fe(2), one Fe(3), one Fe(4), one Fe(5), one Fe(6), one Fe(8), one Fe(9), two equivalent Fe(1), and one Al(2) atom to form FeLa2AlFe9 cuboctahedra that share  a cornercorner with one Fe(7)Al4Fe8 cuboctahedra,  a cornercorner with one Fe(2)La2AlFe9 cuboctahedra,  a cornercorner with one Fe(9)La5Fe7 cuboctahedra, corners with two equivalent Fe(1)La2Al2Fe8 cuboctahedra,  an edgeedge with one Fe(3)La3Al2Fe7 cuboctahedra,  a faceface with one Fe(8)Al2Fe10 cuboctahedra,  a faceface with one Fe(7)Al4Fe8 cuboctahedra,  a faceface with one Fe(3)La3Al2Fe7 cuboctahedra, faces with two equivalent Fe(9)La5Fe7 cuboctahedra, faces with three equivalent Fe(2)La2AlFe9 cuboctahedra, and faces with four equivalent Fe(1)La2Al2Fe8 cuboctahedra. In the third Fe site, Fe(3) is bonded to one La(3), two equivalent La(1), one Fe(5), one Fe(7), one Fe(9), two equivalent Fe(1), two equivalent Fe(2), and two equivalent Al(1) atoms to form distorted FeLa3Al2Fe7 cuboctahedra that share corners with two equivalent Fe(3)La3Al2Fe7 cuboctahedra, corners with three equivalent Fe(9)La5Fe7 cuboctahedra, edges with two equivalent Fe(1)La2Al2Fe8 cuboctahedra, edges with two equivalent Fe(2)La2AlFe9 cuboctahedra,  a faceface with one Fe(8)Al2Fe10 cuboctahedra,  a faceface with one Fe(7)Al4Fe8 cuboctahedra,  a faceface with one Fe(3)La3Al2Fe7 cuboctahedra,  a faceface with one Fe(9)La5Fe7 cuboctahedra, faces with two equivalent Fe(2)La2AlFe9 cuboctahedra, and faces with four equivalent Fe(1)La2Al2Fe8 cuboctahedra. In the fourth Fe site, Fe(4) is bonded in a 12-coordinate geometry to one La(4), two equivalent La(1), one Fe(6), one Fe(8), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(9), and one Al(1) atom. In the fifth Fe site, Fe(5) is bonded in a 12-coordinate geometry to one La(5), two equivalent La(2), one Fe(3), one Fe(7), two equivalent Fe(1), two equivalent Fe(2), one Al(2), and two equivalent Al(3) atoms. In the sixth Fe site, Fe(6) is bonded in a 12-coordinate geometry to one La(6), two equivalent La(2), one Fe(4), one Fe(8), two equivalent Fe(1), two equivalent Fe(2), one Al(3), and two equivalent Al(2) atoms. In the seventh Fe site, Fe(7) is bonded to two equivalent Fe(3), two equivalent Fe(5), four equivalent Fe(1), two equivalent Al(1), and two equivalent Al(3) atoms to form FeAl4Fe8 cuboctahedra that share corners with two equivalent Fe(9)La5Fe7 cuboctahedra, corners with four equivalent Fe(2)La2AlFe9 cuboctahedra, faces with two equivalent Fe(3)La3Al2Fe7 cuboctahedra, faces with four equivalent Fe(1)La2Al2Fe8 cuboctahedra, and faces with four equivalent Fe(2)La2AlFe9 cuboctahedra. In the eighth Fe site, Fe(8) is bonded to two equivalent Fe(4), two equivalent Fe(6), two equivalent Fe(9), four equivalent Fe(2), and two equivalent Al(2) atoms to form FeAl2Fe10 cuboctahedra that share corners with four equivalent Fe(1)La2Al2Fe8 cuboctahedra, faces with two equivalent Fe(3)La3Al2Fe7 cuboctahedra, faces with two equivalent Fe(9)La5Fe7 cuboctahedra, faces with four equivalent Fe(1)La2Al2Fe8 cuboctahedra, and faces with four equivalent Fe(2)La2AlFe9 cuboctahedra. In the ninth Fe site, Fe(9) is bonded to one La(3), two equivalent La(1), two equivalent La(4), one Fe(3), one Fe(8), one Fe(9), two equivalent Fe(2), and two equivalent Fe(4) atoms to form distorted FeLa5Fe7 cuboctahedra that share  a cornercorner with one Fe(7)Al4Fe8 cuboctahedra, corners with two equivalent Fe(1)La2Al2Fe8 cuboctahedra, corners with two equivalent Fe(2)La2AlFe9 cuboctahedra, corners with two equivalent Fe(9)La5Fe7 cuboctahedra, corners with three equivalent Fe(3)La3Al2Fe7 cuboctahedra,  a faceface with one Fe(8)Al2Fe10 cuboctahedra,  a faceface with one Fe(3)La3Al2Fe7 cuboctahedra,  a faceface with one Fe(9)La5Fe7 cuboctahedra, faces with four equivalent Fe(1)La2Al2Fe8 cuboctahedra, and faces with four equivalent Fe(2)La2AlFe9 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 12-coordinate geometry to one La(4), two equivalent La(1), two equivalent La(3), one Fe(4), one Fe(7), two equivalent Fe(1), two equivalent Fe(3), and one Al(1) atom. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to one La(5), two equivalent La(2), two equivalent La(6), one Fe(5), one Fe(8), two equivalent Fe(2), two equivalent Fe(6), and one Al(2) atom. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to one La(6), two equivalent La(2), two equivalent La(5), one Fe(6), one Fe(7), two equivalent Fe(1), two equivalent Fe(5), and one Al(3) atom. As(1) is bonded in a distorted q6 geometry to one La(1), one La(2), two equivalent La(3), two equivalent La(4), two equivalent La(5), and two equivalent La(6) atoms. is represented by the CIF card [CIF]
data_La6Al3Fe10As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.125
_cell_length_b   8.125
_cell_length_c   13.011
_cell_angle_alpha   71.656
_cell_angle_beta   71.656
_cell_angle_gamma   89.542
_symmetry_Int_Tables_number   1
_cell_volume   769.853
_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  0.893  0.893  0.214  1.0
  La  La1  1  0.393  0.393  0.214  1.0
  La  La2  1  0.107  0.107  0.786  1.0
  La  La3  1  0.607  0.607  0.786  1.0
  La  La4  1  0.991  0.131  0.378  1.0
  La  La5  1  0.631  0.491  0.378  1.0
  La  La6  1  0.155  0.655  0.369  1.0
  La  La7  1  0.476  0.976  0.369  1.0
  La  La8  1  0.021  0.860  0.620  1.0
  La  La9  1  0.360  0.521  0.620  1.0
  La  La10  1  0.865  0.365  0.613  1.0
  La  La11  1  0.522  0.022  0.613  1.0
  Al  Al12  1  0.024  0.524  0.187  1.0
  Al  Al13  1  0.789  0.289  0.187  1.0
  Al  Al14  1  0.715  0.973  0.813  1.0
  Al  Al15  1  0.473  0.215  0.813  1.0
  Al  Al16  1  0.974  0.474  0.815  1.0
  Al  Al17  1  0.211  0.711  0.815  1.0
  Fe  Fe18  1  0.070  0.789  0.003  1.0
  Fe  Fe19  1  0.927  0.209  0.003  1.0
  Fe  Fe20  1  0.431  0.290  0.001  1.0
  Fe  Fe21  1  0.569  0.710  0.001  1.0
  Fe  Fe22  1  0.790  0.931  0.001  1.0
  Fe  Fe23  1  0.210  0.069  0.001  1.0
  Fe  Fe24  1  0.289  0.570  0.003  1.0
  Fe  Fe25  1  0.709  0.427  0.003  1.0
  Fe  Fe26  1  0.122  0.258  0.120  1.0
  Fe  Fe27  1  0.758  0.622  0.120  1.0
  Fe  Fe28  1  0.270  0.770  0.115  1.0
  Fe  Fe29  1  0.615  0.115  0.115  1.0
  Fe  Fe30  1  0.880  0.728  0.892  1.0
  Fe  Fe31  1  0.228  0.380  0.892  1.0
  Fe  Fe32  1  0.733  0.233  0.885  1.0
  Fe  Fe33  1  0.382  0.882  0.885  1.0
  Fe  Fe34  1  0.998  0.498  0.004  1.0
  Fe  Fe35  1  0.501  0.001  0.997  1.0
  Fe  Fe36  1  0.293  0.022  0.186  1.0
  Fe  Fe37  1  0.522  0.793  0.186  1.0
  As  As38  1  0.750  0.750  0.500  1.0
  As  As39  1  0.250  0.250  0.500  1.0
[/CIF]
.