The compound described by La5Cu6O4S7 crystallizes in the orthorhombic Ima2 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 2-coordinate geometry to one S(2), one S(3), two equivalent S(4), two equivalent S(5), and two equivalent O(2) atoms. In the second La site, La(2) is bonded in a 4-coordinate geometry to two equivalent S(1), two equivalent S(3), and four equivalent O(1) atoms. In the third La site, La(3) is bonded in a 4-coordinate geometry to one S(1), one S(4), two equivalent S(3), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form a mixture of corner and edge-sharing CuS4 tetrahedra. In the second Cu site, Cu(2) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form a mixture of corner and edge-sharing CuS4 tetrahedra. In the third Cu site, Cu(3) is bonded to two equivalent S(3) and two equivalent S(4) atoms to form a mixture of distorted corner and edge-sharing CuS4 tetrahedra. In the fourth Cu site, Cu(4) is bonded to two equivalent S(3) and two equivalent S(4) atoms to form a mixture of distorted corner and edge-sharing CuS4 tetrahedra. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to two equivalent La(2), two equivalent La(3), two equivalent Cu(1), and two equivalent Cu(2) atoms. In the second S site, S(2) is bonded to two equivalent La(1), two equivalent Cu(1), and two equivalent Cu(2) atoms to form distorted SLa2Cu4 pentagonal pyramids that share corners with four equivalent O(2)La4 tetrahedra. In the third S site, S(3) is bonded in a 8-coordinate geometry to one La(1), one La(2), two equivalent La(3), one Cu(1), one Cu(2), one Cu(3), and one Cu(4) atom. In the fourth S site, S(4) is bonded in a 7-coordinate geometry to one La(3), two equivalent La(1), one Cu(1), one Cu(2), one Cu(3), and one Cu(4) atom. In the fifth S site, S(5) is bonded in a distorted square co-planar geometry to four equivalent La(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(2) and two equivalent La(3) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the second O site, O(2) is bonded to two equivalent La(1) and two equivalent La(3) atoms to form OLa4 tetrahedra that share corners with two equivalent S(2)La2Cu4 pentagonal pyramids, corners with two equivalent O(1)La4 tetrahedra,  an edgeedge with one O(1)La4 tetrahedra, and edges with two equivalent O(2)La4 tetrahedra. is represented by the CIF file [CIF]
data_La5Cu6S7O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.114
_cell_length_b   12.114
_cell_length_c   12.114
_cell_angle_alpha   153.298
_cell_angle_beta   99.254
_cell_angle_gamma   86.895
_symmetry_Int_Tables_number   1
_cell_volume   772.214
_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  0.061  0.671  0.397  1.0
  La  La1  1  0.939  0.337  0.611  1.0
  La  La2  1  0.226  0.337  0.897  1.0
  La  La3  1  0.774  0.671  0.111  1.0
  La  La4  1  0.571  0.322  0.250  1.0
  La  La5  1  0.429  0.679  0.750  1.0
  La  La6  1  0.610  0.179  0.432  1.0
  La  La7  1  0.390  0.822  0.568  1.0
  La  La8  1  0.754  0.822  0.932  1.0
  La  La9  1  0.246  0.179  0.068  1.0
  Cu  Cu10  1  0.346  0.774  0.098  1.0
  Cu  Cu11  1  0.654  0.751  0.428  1.0
  Cu  Cu12  1  0.824  0.751  0.598  1.0
  Cu  Cu13  1  0.176  0.774  0.928  1.0
  Cu  Cu14  1  0.654  0.226  0.902  1.0
  Cu  Cu15  1  0.346  0.249  0.572  1.0
  Cu  Cu16  1  0.176  0.249  0.402  1.0
  Cu  Cu17  1  0.824  0.226  0.072  1.0
  Cu  Cu18  1  0.500  0.756  0.256  1.0
  Cu  Cu19  1  0.000  0.756  0.756  1.0
  Cu  Cu20  1  0.500  0.244  0.744  1.0
  Cu  Cu21  1  0.000  0.244  0.244  1.0
  S  S22  1  0.345  0.095  0.250  1.0
  S  S23  1  0.655  0.905  0.750  1.0
  S  S24  1  0.807  0.558  0.250  1.0
  S  S25  1  0.193  0.443  0.750  1.0
  S  S26  1  0.839  0.412  0.427  1.0
  S  S27  1  0.161  0.588  0.574  1.0
  S  S28  1  0.514  0.588  0.927  1.0
  S  S29  1  0.486  0.412  0.074  1.0
  S  S30  1  0.987  0.078  0.910  1.0
  S  S31  1  0.013  0.923  0.090  1.0
  S  S32  1  0.332  0.923  0.410  1.0
  S  S33  1  0.668  0.078  0.590  1.0
  S  S34  1  0.005  0.539  0.035  1.0
  S  S35  1  0.995  0.030  0.535  1.0
  O  O36  1  0.593  0.000  0.093  1.0
  O  O37  1  0.407  0.500  0.407  1.0
  O  O38  1  0.593  0.500  0.593  1.0
  O  O39  1  0.407  0.000  0.907  1.0
  O  O40  1  0.220  0.001  0.720  1.0
  O  O41  1  0.780  0.500  0.781  1.0
  O  O42  1  0.220  0.500  0.220  1.0
  O  O43  1  0.780  0.001  0.281  1.0
[/CIF]
.
The compound described by La5Cu6O4S7 crystallizes in the orthorhombic Ima2 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 2-coordinate geometry to one S(2), one S(3), two equivalent S(4), two equivalent S(5), and two equivalent O(2) atoms. In the second La site, La(2) is bonded in a 4-coordinate geometry to two equivalent S(1), two equivalent S(3), and four equivalent O(1) atoms. In the third La site, La(3) is bonded in a 4-coordinate geometry to one S(1), one S(4), two equivalent S(3), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form a mixture of corner and edge-sharing CuS4 tetrahedra. In the second Cu site, Cu(2) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form a mixture of corner and edge-sharing CuS4 tetrahedra. In the third Cu site, Cu(3) is bonded to two equivalent S(3) and two equivalent S(4) atoms to form a mixture of distorted corner and edge-sharing CuS4 tetrahedra. In the fourth Cu site, Cu(4) is bonded to two equivalent S(3) and two equivalent S(4) atoms to form a mixture of distorted corner and edge-sharing CuS4 tetrahedra. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to two equivalent La(2), two equivalent La(3), two equivalent Cu(1), and two equivalent Cu(2) atoms. In the second S site, S(2) is bonded to two equivalent La(1), two equivalent Cu(1), and two equivalent Cu(2) atoms to form distorted SLa2Cu4 pentagonal pyramids that share corners with four equivalent O(2)La4 tetrahedra. In the third S site, S(3) is bonded in a 8-coordinate geometry to one La(1), one La(2), two equivalent La(3), one Cu(1), one Cu(2), one Cu(3), and one Cu(4) atom. In the fourth S site, S(4) is bonded in a 7-coordinate geometry to one La(3), two equivalent La(1), one Cu(1), one Cu(2), one Cu(3), and one Cu(4) atom. In the fifth S site, S(5) is bonded in a distorted square co-planar geometry to four equivalent La(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(2) and two equivalent La(3) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the second O site, O(2) is bonded to two equivalent La(1) and two equivalent La(3) atoms to form OLa4 tetrahedra that share corners with two equivalent S(2)La2Cu4 pentagonal pyramids, corners with two equivalent O(1)La4 tetrahedra,  an edgeedge with one O(1)La4 tetrahedra, and edges with two equivalent O(2)La4 tetrahedra. is represented by the CIF file [CIF]
data_La5Cu6S7O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.114
_cell_length_b   12.114
_cell_length_c   12.114
_cell_angle_alpha   153.298
_cell_angle_beta   99.254
_cell_angle_gamma   86.895
_symmetry_Int_Tables_number   1
_cell_volume   772.214
_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  0.061  0.671  0.397  1.0
  La  La1  1  0.939  0.337  0.611  1.0
  La  La2  1  0.226  0.337  0.897  1.0
  La  La3  1  0.774  0.671  0.111  1.0
  La  La4  1  0.571  0.322  0.250  1.0
  La  La5  1  0.429  0.679  0.750  1.0
  La  La6  1  0.610  0.179  0.432  1.0
  La  La7  1  0.390  0.822  0.568  1.0
  La  La8  1  0.754  0.822  0.932  1.0
  La  La9  1  0.246  0.179  0.068  1.0
  Cu  Cu10  1  0.346  0.774  0.098  1.0
  Cu  Cu11  1  0.654  0.751  0.428  1.0
  Cu  Cu12  1  0.824  0.751  0.598  1.0
  Cu  Cu13  1  0.176  0.774  0.928  1.0
  Cu  Cu14  1  0.654  0.226  0.902  1.0
  Cu  Cu15  1  0.346  0.249  0.572  1.0
  Cu  Cu16  1  0.176  0.249  0.402  1.0
  Cu  Cu17  1  0.824  0.226  0.072  1.0
  Cu  Cu18  1  0.500  0.756  0.256  1.0
  Cu  Cu19  1  0.000  0.756  0.756  1.0
  Cu  Cu20  1  0.500  0.244  0.744  1.0
  Cu  Cu21  1  0.000  0.244  0.244  1.0
  S  S22  1  0.345  0.095  0.250  1.0
  S  S23  1  0.655  0.905  0.750  1.0
  S  S24  1  0.807  0.558  0.250  1.0
  S  S25  1  0.193  0.443  0.750  1.0
  S  S26  1  0.839  0.412  0.427  1.0
  S  S27  1  0.161  0.588  0.574  1.0
  S  S28  1  0.514  0.588  0.927  1.0
  S  S29  1  0.486  0.412  0.074  1.0
  S  S30  1  0.987  0.078  0.910  1.0
  S  S31  1  0.013  0.923  0.090  1.0
  S  S32  1  0.332  0.923  0.410  1.0
  S  S33  1  0.668  0.078  0.590  1.0
  S  S34  1  0.005  0.539  0.035  1.0
  S  S35  1  0.995  0.030  0.535  1.0
  O  O36  1  0.593  0.000  0.093  1.0
  O  O37  1  0.407  0.500  0.407  1.0
  O  O38  1  0.593  0.500  0.593  1.0
  O  O39  1  0.407  0.000  0.907  1.0
  O  O40  1  0.220  0.001  0.720  1.0
  O  O41  1  0.780  0.500  0.781  1.0
  O  O42  1  0.220  0.500  0.220  1.0
  O  O43  1  0.780  0.001  0.281  1.0
[/CIF]
.