The material structure described by Cu12As4S13 crystallizes in the triclinic P1 space group. There are twelve inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(12), one S(3), one S(5), and one S(8) atom to form corner-sharing CuS4 tetrahedra. In the second Cu site, Cu(2) is bonded to one S(1), one S(12), one S(6), and one S(7) atom to form corner-sharing CuS4 tetrahedra. In the third Cu site, Cu(3) is bonded to one S(10), one S(2), one S(5), and one S(7) atom to form corner-sharing CuS4 tetrahedra. In the fourth Cu site, Cu(4) is bonded to one S(10), one S(3), one S(4), and one S(9) atom to form corner-sharing CuS4 tetrahedra. In the fifth Cu site, Cu(5) is bonded to one S(11), one S(2), one S(6), and one S(9) atom to form corner-sharing CuS4 tetrahedra. In the sixth Cu site, Cu(6) is bonded to one S(1), one S(11), one S(4), and one S(8) atom to form corner-sharing CuS4 tetrahedra. In the seventh Cu site, Cu(7) is bonded in a distorted trigonal planar geometry to one S(1), one S(10), and one S(13) atom. In the eighth Cu site, Cu(8) is bonded in a 3-coordinate geometry to one As(4), one S(13), one S(2), and one S(8) atom. In the ninth Cu site, Cu(9) is bonded in a 3-coordinate geometry to one S(13), one S(3), and one S(6) atom. In the tenth Cu site, Cu(10) is bonded in a 3-coordinate geometry to one S(13), one S(4), and one S(7) atom. In the eleventh Cu site, Cu(11) is bonded in a distorted trigonal planar geometry to one S(11), one S(13), and one S(5) atom. In the twelfth Cu site, Cu(12) is bonded in a 3-coordinate geometry to one S(12), one S(13), and one S(9) atom. There are four inequivalent As sites. In the first As site, As(1) is bonded in a 3-coordinate geometry to one S(10), one S(6), and one S(8) atom. In the second As site, As(2) is bonded in a 3-coordinate geometry to one S(11), one S(3), and one S(7) atom. In the third As site, As(3) is bonded in a 3-coordinate geometry to one S(12), one S(2), and one S(4) atom. In the fourth As site, As(4) is bonded in a 4-coordinate geometry to one Cu(8), one S(1), one S(5), and one S(9) atom. There are thirteen inequivalent S sites. In the first S site, S(1) is bonded to one Cu(2), one Cu(6), one Cu(7), and one As(4) atom to form SCu3As tetrahedra that share  a cornercorner with one S(13)Cu6 octahedra,  a cornercorner with one S(10)Cu3As tetrahedra,  a cornercorner with one S(11)Cu3As tetrahedra,  a cornercorner with one S(12)Cu3As tetrahedra,  a cornercorner with one S(4)Cu3As tetrahedra,  a cornercorner with one S(5)Cu3As tetrahedra,  a cornercorner with one S(6)Cu3As tetrahedra,  a cornercorner with one S(7)Cu3As tetrahedra,  a cornercorner with one S(8)Cu3As tetrahedra, and  a cornercorner with one S(9)Cu3As tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the second S site, S(2) is bonded to one Cu(3), one Cu(5), one Cu(8), and one As(3) atom to form SCu3As tetrahedra that share  a cornercorner with one S(13)Cu6 octahedra,  a cornercorner with one S(10)Cu3As tetrahedra,  a cornercorner with one S(11)Cu3As tetrahedra,  a cornercorner with one S(12)Cu3As tetrahedra,  a cornercorner with one S(4)Cu3As tetrahedra,  a cornercorner with one S(5)Cu3As tetrahedra,  a cornercorner with one S(6)Cu3As tetrahedra,  a cornercorner with one S(7)Cu3As tetrahedra,  a cornercorner with one S(8)Cu3As tetrahedra, and  a cornercorner with one S(9)Cu3As tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the third S site, S(3) is bonded to one Cu(1), one Cu(4), one Cu(9), and one As(2) atom to form SCu3As tetrahedra that share  a cornercorner with one S(13)Cu6 octahedra,  a cornercorner with one S(10)Cu3As tetrahedra,  a cornercorner with one S(11)Cu3As tetrahedra,  a cornercorner with one S(12)Cu3As tetrahedra,  a cornercorner with one S(4)Cu3As tetrahedra,  a cornercorner with one S(5)Cu3As tetrahedra,  a cornercorner with one S(6)Cu3As tetrahedra,  a cornercorner with one S(7)Cu3As tetrahedra,  a cornercorner with one S(8)Cu3As tetrahedra, and  a cornercorner with one S(9)Cu3As tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the fourth S site, S(4) is bonded to one Cu(10), one Cu(4), one Cu(6), and one As(3) atom to form SCu3As tetrahedra that share  a cornercorner with one S(13)Cu6 octahedra,  a cornercorner with one S(1)Cu3As tetrahedra,  a cornercorner with one S(10)Cu3As tetrahedra,  a cornercorner with one S(11)Cu3As tetrahedra,  a cornercorner with one S(12)Cu3As tetrahedra,  a cornercorner with one S(2)Cu3As tetrahedra,  a cornercorner with one S(3)Cu3As tetrahedra,  a cornercorner with one S(7)Cu3As tetrahedra,  a cornercorner with one S(8)Cu3As tetrahedra, and  a cornercorner with one S(9)Cu3As tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the fifth S site, S(5) is bonded to one Cu(1), one Cu(11), one Cu(3), and one As(4) atom to form SCu3As tetrahedra that share  a cornercorner with one S(13)Cu6 octahedra,  a cornercorner with one S(1)Cu3As tetrahedra,  a cornercorner with one S(10)Cu3As tetrahedra,  a cornercorner with one S(11)Cu3As tetrahedra,  a cornercorner with one S(12)Cu3As tetrahedra,  a cornercorner with one S(2)Cu3As tetrahedra,  a cornercorner with one S(3)Cu3As tetrahedra,  a cornercorner with one S(7)Cu3As tetrahedra,  a cornercorner with one S(8)Cu3As tetrahedra, and  a cornercorner with one S(9)Cu3As tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the sixth S site, S(6) is bonded to one Cu(2), one Cu(5), one Cu(9), and one As(1) atom to form SCu3As tetrahedra that share  a cornercorner with one S(13)Cu6 octahedra,  a cornercorner with one S(1)Cu3As tetrahedra,  a cornercorner with one S(10)Cu3As tetrahedra,  a cornercorner with one S(11)Cu3As tetrahedra,  a cornercorner with one S(12)Cu3As tetrahedra,  a cornercorner with one S(2)Cu3As tetrahedra,  a cornercorner with one S(3)Cu3As tetrahedra,  a cornercorner with one S(7)Cu3As tetrahedra,  a cornercorner with one S(8)Cu3As tetrahedra, and  a cornercorner with one S(9)Cu3As tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the seventh S site, S(7) is bonded to one Cu(10), one Cu(2), one Cu(3), and one As(2) atom to form SCu3As tetrahedra that share  a cornercorner with one S(13)Cu6 octahedra,  a cornercorner with one S(1)Cu3As tetrahedra,  a cornercorner with one S(10)Cu3As tetrahedra,  a cornercorner with one S(11)Cu3As tetrahedra,  a cornercorner with one S(12)Cu3As tetrahedra,  a cornercorner with one S(2)Cu3As tetrahedra,  a cornercorner with one S(3)Cu3As tetrahedra,  a cornercorner with one S(4)Cu3As tetrahedra,  a cornercorner with one S(5)Cu3As tetrahedra, and  a cornercorner with one S(6)Cu3As tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the eighth S site, S(8) is bonded to one Cu(1), one Cu(6), one Cu(8), and one As(1) atom to form SCu3As tetrahedra that share  a cornercorner with one S(13)Cu6 octahedra,  a cornercorner with one S(1)Cu3As tetrahedra,  a cornercorner with one S(10)Cu3As tetrahedra,  a cornercorner with one S(11)Cu3As tetrahedra,  a cornercorner with one S(12)Cu3As tetrahedra,  a cornercorner with one S(2)Cu3As tetrahedra,  a cornercorner with one S(3)Cu3As tetrahedra,  a cornercorner with one S(4)Cu3As tetrahedra,  a cornercorner with one S(5)Cu3As tetrahedra, and  a cornercorner with one S(6)Cu3As tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the ninth S site, S(9) is bonded to one Cu(12), one Cu(4), one Cu(5), and one As(4) atom to form SCu3As tetrahedra that share  a cornercorner with one S(13)Cu6 octahedra,  a cornercorner with one S(1)Cu3As tetrahedra,  a cornercorner with one S(10)Cu3As tetrahedra,  a cornercorner with one S(11)Cu3As tetrahedra,  a cornercorner with one S(12)Cu3As tetrahedra,  a cornercorner with one S(2)Cu3As tetrahedra,  a cornercorner with one S(3)Cu3As tetrahedra,  a cornercorner with one S(4)Cu3As tetrahedra,  a cornercorner with one S(5)Cu3As tetrahedra, and  a cornercorner with one S(6)Cu3As tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the tenth S site, S(10) is bonded to one Cu(3), one Cu(4), one Cu(7), and one As(1) atom to form SCu3As tetrahedra that share  a cornercorner with one S(13)Cu6 octahedra,  a cornercorner with one S(1)Cu3As tetrahedra,  a cornercorner with one S(2)Cu3As tetrahedra,  a cornercorner with one S(3)Cu3As tetrahedra,  a cornercorner with one S(4)Cu3As tetrahedra,  a cornercorner with one S(5)Cu3As tetrahedra,  a cornercorner with one S(6)Cu3As tetrahedra,  a cornercorner with one S(7)Cu3As tetrahedra,  a cornercorner with one S(8)Cu3As tetrahedra, and  a cornercorner with one S(9)Cu3As tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the eleventh S site, S(11) is bonded to one Cu(11), one Cu(5), one Cu(6), and one As(2) atom to form SCu3As tetrahedra that share  a cornercorner with one S(13)Cu6 octahedra,  a cornercorner with one S(1)Cu3As tetrahedra,  a cornercorner with one S(2)Cu3As tetrahedra,  a cornercorner with one S(3)Cu3As tetrahedra,  a cornercorner with one S(4)Cu3As tetrahedra,  a cornercorner with one S(5)Cu3As tetrahedra,  a cornercorner with one S(6)Cu3As tetrahedra,  a cornercorner with one S(7)Cu3As tetrahedra,  a cornercorner with one S(8)Cu3As tetrahedra, and  a cornercorner with one S(9)Cu3As tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the twelfth S site, S(12) is bonded to one Cu(1), one Cu(12), one Cu(2), and one As(3) atom to form SCu3As tetrahedra that share  a cornercorner with one S(13)Cu6 octahedra,  a cornercorner with one S(1)Cu3As tetrahedra,  a cornercorner with one S(2)Cu3As tetrahedra,  a cornercorner with one S(3)Cu3As tetrahedra,  a cornercorner with one S(4)Cu3As tetrahedra,  a cornercorner with one S(5)Cu3As tetrahedra,  a cornercorner with one S(6)Cu3As tetrahedra,  a cornercorner with one S(7)Cu3As tetrahedra,  a cornercorner with one S(8)Cu3As tetrahedra, and  a cornercorner with one S(9)Cu3As tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the thirteenth S site, S(13) is bonded to one Cu(10), one Cu(11), one Cu(12), one Cu(7), one Cu(8), and one Cu(9) atom to form corner-sharing SCu6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu12As4S13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.774
_cell_length_b   8.782
_cell_length_c   8.871
_cell_angle_alpha   109.492
_cell_angle_beta   109.477
_cell_angle_gamma   108.991
_symmetry_Int_Tables_number   1
_cell_volume   529.106
_cell_formula_units_Z   1
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
  Cu  Cu0  1  0.750  0.500  0.249  1.0
  Cu  Cu1  1  0.750  0.251  0.499  1.0
  Cu  Cu2  1  0.500  0.250  0.750  1.0
  Cu  Cu3  1  0.251  0.751  0.501  1.0
  Cu  Cu4  1  0.248  0.499  0.750  1.0
  Cu  Cu5  1  0.500  0.750  0.250  1.0
  Cu  Cu6  1  0.202  0.962  0.203  1.0
  Cu  Cu7  1  0.759  0.798  0.002  1.0
  Cu  Cu8  1  0.044  0.242  0.241  1.0
  Cu  Cu9  1  0.799  0.994  0.756  1.0
  Cu  Cu10  1  0.238  0.241  0.041  1.0
  Cu  Cu11  1  0.998  0.801  0.757  1.0
  As  As12  1  0.997  0.998  0.525  1.0
  As  As13  1  0.003  0.528  0.003  1.0
  As  As14  1  0.473  0.475  0.473  1.0
  As  As15  1  0.525  0.997  1.000  1.0
  S  S16  1  0.479  0.999  0.241  1.0
  S  S17  1  0.521  0.523  0.762  1.0
  S  S18  1  0.004  0.482  0.243  1.0
  S  S19  1  0.521  0.762  0.518  1.0
  S  S20  1  0.480  0.241  0.002  1.0
  S  S21  1  0.003  0.242  0.480  1.0
  S  S22  1  0.763  0.239  0.759  1.0
  S  S23  1  0.758  0.760  0.238  1.0
  S  S24  1  0.238  0.760  0.758  1.0
  S  S25  1  0.241  0.999  0.479  1.0
  S  S26  1  0.243  0.482  0.002  1.0
  S  S27  1  0.762  0.522  0.518  1.0
  S  S28  1  0.998  0.998  0.000  1.0
[/CIF]
.
The material structure described by Cu12As4S13 crystallizes in the triclinic P1 space group. There are twelve inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(12), one S(3), one S(5), and one S(8) atom to form corner-sharing CuS4 tetrahedra. In the second Cu site, Cu(2) is bonded to one S(1), one S(12), one S(6), and one S(7) atom to form corner-sharing CuS4 tetrahedra. In the third Cu site, Cu(3) is bonded to one S(10), one S(2), one S(5), and one S(7) atom to form corner-sharing CuS4 tetrahedra. In the fourth Cu site, Cu(4) is bonded to one S(10), one S(3), one S(4), and one S(9) atom to form corner-sharing CuS4 tetrahedra. In the fifth Cu site, Cu(5) is bonded to one S(11), one S(2), one S(6), and one S(9) atom to form corner-sharing CuS4 tetrahedra. In the sixth Cu site, Cu(6) is bonded to one S(1), one S(11), one S(4), and one S(8) atom to form corner-sharing CuS4 tetrahedra. In the seventh Cu site, Cu(7) is bonded in a distorted trigonal planar geometry to one S(1), one S(10), and one S(13) atom. In the eighth Cu site, Cu(8) is bonded in a 3-coordinate geometry to one As(4), one S(13), one S(2), and one S(8) atom. In the ninth Cu site, Cu(9) is bonded in a 3-coordinate geometry to one S(13), one S(3), and one S(6) atom. In the tenth Cu site, Cu(10) is bonded in a 3-coordinate geometry to one S(13), one S(4), and one S(7) atom. In the eleventh Cu site, Cu(11) is bonded in a distorted trigonal planar geometry to one S(11), one S(13), and one S(5) atom. In the twelfth Cu site, Cu(12) is bonded in a 3-coordinate geometry to one S(12), one S(13), and one S(9) atom. There are four inequivalent As sites. In the first As site, As(1) is bonded in a 3-coordinate geometry to one S(10), one S(6), and one S(8) atom. In the second As site, As(2) is bonded in a 3-coordinate geometry to one S(11), one S(3), and one S(7) atom. In the third As site, As(3) is bonded in a 3-coordinate geometry to one S(12), one S(2), and one S(4) atom. In the fourth As site, As(4) is bonded in a 4-coordinate geometry to one Cu(8), one S(1), one S(5), and one S(9) atom. There are thirteen inequivalent S sites. In the first S site, S(1) is bonded to one Cu(2), one Cu(6), one Cu(7), and one As(4) atom to form SCu3As tetrahedra that share  a cornercorner with one S(13)Cu6 octahedra,  a cornercorner with one S(10)Cu3As tetrahedra,  a cornercorner with one S(11)Cu3As tetrahedra,  a cornercorner with one S(12)Cu3As tetrahedra,  a cornercorner with one S(4)Cu3As tetrahedra,  a cornercorner with one S(5)Cu3As tetrahedra,  a cornercorner with one S(6)Cu3As tetrahedra,  a cornercorner with one S(7)Cu3As tetrahedra,  a cornercorner with one S(8)Cu3As tetrahedra, and  a cornercorner with one S(9)Cu3As tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the second S site, S(2) is bonded to one Cu(3), one Cu(5), one Cu(8), and one As(3) atom to form SCu3As tetrahedra that share  a cornercorner with one S(13)Cu6 octahedra,  a cornercorner with one S(10)Cu3As tetrahedra,  a cornercorner with one S(11)Cu3As tetrahedra,  a cornercorner with one S(12)Cu3As tetrahedra,  a cornercorner with one S(4)Cu3As tetrahedra,  a cornercorner with one S(5)Cu3As tetrahedra,  a cornercorner with one S(6)Cu3As tetrahedra,  a cornercorner with one S(7)Cu3As tetrahedra,  a cornercorner with one S(8)Cu3As tetrahedra, and  a cornercorner with one S(9)Cu3As tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the third S site, S(3) is bonded to one Cu(1), one Cu(4), one Cu(9), and one As(2) atom to form SCu3As tetrahedra that share  a cornercorner with one S(13)Cu6 octahedra,  a cornercorner with one S(10)Cu3As tetrahedra,  a cornercorner with one S(11)Cu3As tetrahedra,  a cornercorner with one S(12)Cu3As tetrahedra,  a cornercorner with one S(4)Cu3As tetrahedra,  a cornercorner with one S(5)Cu3As tetrahedra,  a cornercorner with one S(6)Cu3As tetrahedra,  a cornercorner with one S(7)Cu3As tetrahedra,  a cornercorner with one S(8)Cu3As tetrahedra, and  a cornercorner with one S(9)Cu3As tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the fourth S site, S(4) is bonded to one Cu(10), one Cu(4), one Cu(6), and one As(3) atom to form SCu3As tetrahedra that share  a cornercorner with one S(13)Cu6 octahedra,  a cornercorner with one S(1)Cu3As tetrahedra,  a cornercorner with one S(10)Cu3As tetrahedra,  a cornercorner with one S(11)Cu3As tetrahedra,  a cornercorner with one S(12)Cu3As tetrahedra,  a cornercorner with one S(2)Cu3As tetrahedra,  a cornercorner with one S(3)Cu3As tetrahedra,  a cornercorner with one S(7)Cu3As tetrahedra,  a cornercorner with one S(8)Cu3As tetrahedra, and  a cornercorner with one S(9)Cu3As tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the fifth S site, S(5) is bonded to one Cu(1), one Cu(11), one Cu(3), and one As(4) atom to form SCu3As tetrahedra that share  a cornercorner with one S(13)Cu6 octahedra,  a cornercorner with one S(1)Cu3As tetrahedra,  a cornercorner with one S(10)Cu3As tetrahedra,  a cornercorner with one S(11)Cu3As tetrahedra,  a cornercorner with one S(12)Cu3As tetrahedra,  a cornercorner with one S(2)Cu3As tetrahedra,  a cornercorner with one S(3)Cu3As tetrahedra,  a cornercorner with one S(7)Cu3As tetrahedra,  a cornercorner with one S(8)Cu3As tetrahedra, and  a cornercorner with one S(9)Cu3As tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the sixth S site, S(6) is bonded to one Cu(2), one Cu(5), one Cu(9), and one As(1) atom to form SCu3As tetrahedra that share  a cornercorner with one S(13)Cu6 octahedra,  a cornercorner with one S(1)Cu3As tetrahedra,  a cornercorner with one S(10)Cu3As tetrahedra,  a cornercorner with one S(11)Cu3As tetrahedra,  a cornercorner with one S(12)Cu3As tetrahedra,  a cornercorner with one S(2)Cu3As tetrahedra,  a cornercorner with one S(3)Cu3As tetrahedra,  a cornercorner with one S(7)Cu3As tetrahedra,  a cornercorner with one S(8)Cu3As tetrahedra, and  a cornercorner with one S(9)Cu3As tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the seventh S site, S(7) is bonded to one Cu(10), one Cu(2), one Cu(3), and one As(2) atom to form SCu3As tetrahedra that share  a cornercorner with one S(13)Cu6 octahedra,  a cornercorner with one S(1)Cu3As tetrahedra,  a cornercorner with one S(10)Cu3As tetrahedra,  a cornercorner with one S(11)Cu3As tetrahedra,  a cornercorner with one S(12)Cu3As tetrahedra,  a cornercorner with one S(2)Cu3As tetrahedra,  a cornercorner with one S(3)Cu3As tetrahedra,  a cornercorner with one S(4)Cu3As tetrahedra,  a cornercorner with one S(5)Cu3As tetrahedra, and  a cornercorner with one S(6)Cu3As tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the eighth S site, S(8) is bonded to one Cu(1), one Cu(6), one Cu(8), and one As(1) atom to form SCu3As tetrahedra that share  a cornercorner with one S(13)Cu6 octahedra,  a cornercorner with one S(1)Cu3As tetrahedra,  a cornercorner with one S(10)Cu3As tetrahedra,  a cornercorner with one S(11)Cu3As tetrahedra,  a cornercorner with one S(12)Cu3As tetrahedra,  a cornercorner with one S(2)Cu3As tetrahedra,  a cornercorner with one S(3)Cu3As tetrahedra,  a cornercorner with one S(4)Cu3As tetrahedra,  a cornercorner with one S(5)Cu3As tetrahedra, and  a cornercorner with one S(6)Cu3As tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the ninth S site, S(9) is bonded to one Cu(12), one Cu(4), one Cu(5), and one As(4) atom to form SCu3As tetrahedra that share  a cornercorner with one S(13)Cu6 octahedra,  a cornercorner with one S(1)Cu3As tetrahedra,  a cornercorner with one S(10)Cu3As tetrahedra,  a cornercorner with one S(11)Cu3As tetrahedra,  a cornercorner with one S(12)Cu3As tetrahedra,  a cornercorner with one S(2)Cu3As tetrahedra,  a cornercorner with one S(3)Cu3As tetrahedra,  a cornercorner with one S(4)Cu3As tetrahedra,  a cornercorner with one S(5)Cu3As tetrahedra, and  a cornercorner with one S(6)Cu3As tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the tenth S site, S(10) is bonded to one Cu(3), one Cu(4), one Cu(7), and one As(1) atom to form SCu3As tetrahedra that share  a cornercorner with one S(13)Cu6 octahedra,  a cornercorner with one S(1)Cu3As tetrahedra,  a cornercorner with one S(2)Cu3As tetrahedra,  a cornercorner with one S(3)Cu3As tetrahedra,  a cornercorner with one S(4)Cu3As tetrahedra,  a cornercorner with one S(5)Cu3As tetrahedra,  a cornercorner with one S(6)Cu3As tetrahedra,  a cornercorner with one S(7)Cu3As tetrahedra,  a cornercorner with one S(8)Cu3As tetrahedra, and  a cornercorner with one S(9)Cu3As tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the eleventh S site, S(11) is bonded to one Cu(11), one Cu(5), one Cu(6), and one As(2) atom to form SCu3As tetrahedra that share  a cornercorner with one S(13)Cu6 octahedra,  a cornercorner with one S(1)Cu3As tetrahedra,  a cornercorner with one S(2)Cu3As tetrahedra,  a cornercorner with one S(3)Cu3As tetrahedra,  a cornercorner with one S(4)Cu3As tetrahedra,  a cornercorner with one S(5)Cu3As tetrahedra,  a cornercorner with one S(6)Cu3As tetrahedra,  a cornercorner with one S(7)Cu3As tetrahedra,  a cornercorner with one S(8)Cu3As tetrahedra, and  a cornercorner with one S(9)Cu3As tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the twelfth S site, S(12) is bonded to one Cu(1), one Cu(12), one Cu(2), and one As(3) atom to form SCu3As tetrahedra that share  a cornercorner with one S(13)Cu6 octahedra,  a cornercorner with one S(1)Cu3As tetrahedra,  a cornercorner with one S(2)Cu3As tetrahedra,  a cornercorner with one S(3)Cu3As tetrahedra,  a cornercorner with one S(4)Cu3As tetrahedra,  a cornercorner with one S(5)Cu3As tetrahedra,  a cornercorner with one S(6)Cu3As tetrahedra,  a cornercorner with one S(7)Cu3As tetrahedra,  a cornercorner with one S(8)Cu3As tetrahedra, and  a cornercorner with one S(9)Cu3As tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the thirteenth S site, S(13) is bonded to one Cu(10), one Cu(11), one Cu(12), one Cu(7), one Cu(8), and one Cu(9) atom to form corner-sharing SCu6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu12As4S13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.774
_cell_length_b   8.782
_cell_length_c   8.871
_cell_angle_alpha   109.492
_cell_angle_beta   109.477
_cell_angle_gamma   108.991
_symmetry_Int_Tables_number   1
_cell_volume   529.106
_cell_formula_units_Z   1
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
  Cu  Cu0  1  0.750  0.500  0.249  1.0
  Cu  Cu1  1  0.750  0.251  0.499  1.0
  Cu  Cu2  1  0.500  0.250  0.750  1.0
  Cu  Cu3  1  0.251  0.751  0.501  1.0
  Cu  Cu4  1  0.248  0.499  0.750  1.0
  Cu  Cu5  1  0.500  0.750  0.250  1.0
  Cu  Cu6  1  0.202  0.962  0.203  1.0
  Cu  Cu7  1  0.759  0.798  0.002  1.0
  Cu  Cu8  1  0.044  0.242  0.241  1.0
  Cu  Cu9  1  0.799  0.994  0.756  1.0
  Cu  Cu10  1  0.238  0.241  0.041  1.0
  Cu  Cu11  1  0.998  0.801  0.757  1.0
  As  As12  1  0.997  0.998  0.525  1.0
  As  As13  1  0.003  0.528  0.003  1.0
  As  As14  1  0.473  0.475  0.473  1.0
  As  As15  1  0.525  0.997  1.000  1.0
  S  S16  1  0.479  0.999  0.241  1.0
  S  S17  1  0.521  0.523  0.762  1.0
  S  S18  1  0.004  0.482  0.243  1.0
  S  S19  1  0.521  0.762  0.518  1.0
  S  S20  1  0.480  0.241  0.002  1.0
  S  S21  1  0.003  0.242  0.480  1.0
  S  S22  1  0.763  0.239  0.759  1.0
  S  S23  1  0.758  0.760  0.238  1.0
  S  S24  1  0.238  0.760  0.758  1.0
  S  S25  1  0.241  0.999  0.479  1.0
  S  S26  1  0.243  0.482  0.002  1.0
  S  S27  1  0.762  0.522  0.518  1.0
  S  S28  1  0.998  0.998  0.000  1.0
[/CIF]
.