The material described by Ca5Fe4(PtAs3)3 crystallizes in the triclinic P-1 space group. There are five inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 13-coordinate geometry to one Fe(3), two equivalent Fe(1), one Pt(1), one Pt(2), one Pt(3), one As(1), one As(2), one As(5), one As(8), one As(9), and two equivalent As(7) atoms. In the second Ca site, Ca(2) is bonded in a 13-coordinate geometry to one Fe(1), one Fe(3), two equivalent Fe(4), one Pt(2), one As(2), one As(3), one As(4), one As(5), one As(6), one As(7), one As(8), and one As(9) atom. In the third Ca site, Ca(3) is bonded in a 13-coordinate geometry to one Fe(2), one Fe(3), one Pt(1), one Pt(2), two equivalent Pt(3), one As(1), one As(2), one As(3), one As(5), one As(7), and two equivalent As(6) atoms. In the fourth Ca site, Ca(4) is bonded in a 13-coordinate geometry to one Fe(3), one Fe(4), two equivalent Fe(2), one Pt(1), one Pt(2), one As(1), one As(2), one As(3), one As(4), one As(8), and two equivalent As(9) atoms. In the fifth Ca site, Ca(5) is bonded in a 13-coordinate geometry to one Fe(1), one Fe(2), one Fe(4), one Pt(1), one Pt(2), one Pt(3), one As(1), one As(3), one As(5), one As(6), one As(8), and two equivalent As(4) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(5), two equivalent Ca(1), one Pt(3), one As(2), one As(8), and two equivalent As(5) atoms. In the second Fe site, Fe(2) is bonded to one Ca(3), one Ca(5), two equivalent Ca(4), one Pt(3), one As(1), one As(2), and two equivalent As(3) atoms to form distorted FeCa4As4Pt tetrahedra that share  a cornercorner with one Fe(3)Ca4As4Pt tetrahedra,  an edgeedge with one Fe(4)Ca4As4 tetrahedra,  an edgeedge with one Fe(3)Ca4As4Pt tetrahedra, faces with two equivalent Pt(3)Ca4Fe3As4Pt cuboctahedra,  a faceface with one Fe(4)Ca4As4 tetrahedra,  a faceface with one Fe(2)Ca4As4Pt tetrahedra, and  a faceface with one Fe(3)Ca4As4Pt tetrahedra. In the third Fe site, Fe(3) is bonded to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Pt(3), one As(1), one As(3), one As(5), and one As(8) atom to form distorted FeCa4As4Pt tetrahedra that share  a cornercorner with one Fe(2)Ca4As4Pt tetrahedra,  an edgeedge with one Fe(4)Ca4As4 tetrahedra,  an edgeedge with one Fe(2)Ca4As4Pt tetrahedra, faces with two equivalent Pt(3)Ca4Fe3As4Pt cuboctahedra,  a faceface with one Fe(4)Ca4As4 tetrahedra, and  a faceface with one Fe(2)Ca4As4Pt tetrahedra. In the fourth Fe site, Fe(4) is bonded to one Ca(4), one Ca(5), two equivalent Ca(2), one As(2), one As(3), and two equivalent As(8) atoms to form FeCa4As4 tetrahedra that share  an edgeedge with one Pt(3)Ca4Fe3As4Pt cuboctahedra,  an edgeedge with one Fe(2)Ca4As4Pt tetrahedra,  an edgeedge with one Fe(3)Ca4As4Pt tetrahedra,  a faceface with one Fe(4)Ca4As4 tetrahedra,  a faceface with one Fe(2)Ca4As4Pt tetrahedra, and  a faceface with one Fe(3)Ca4As4Pt tetrahedra. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 8-coordinate geometry to one Ca(1), one Ca(3), one Ca(4), one Ca(5), one As(4), one As(6), one As(7), and one As(9) atom. In the second Pt site, Pt(2) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Ca(5), one As(1), one As(4), one As(6), one As(7), and one As(9) atom. In the third Pt site, Pt(3) is bonded to one Ca(1), one Ca(5), two equivalent Ca(3), one Fe(1), one Fe(2), one Fe(3), one Pt(3), one As(2), one As(5), and two equivalent As(1) atoms to form distorted PtCa4Fe3As4Pt cuboctahedra that share  an edgeedge with one Fe(4)Ca4As4 tetrahedra,  a faceface with one Pt(3)Ca4Fe3As4Pt cuboctahedra, faces with two equivalent Fe(2)Ca4As4Pt tetrahedra, and faces with two equivalent Fe(3)Ca4As4Pt tetrahedra. There are nine inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to one Ca(1), one Ca(3), one Ca(4), one Ca(5), one Fe(2), one Fe(3), one Pt(2), and two equivalent Pt(3) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Fe(1), one Fe(2), one Fe(4), and one Pt(3) atom. In the third As site, As(3) is bonded in a 8-coordinate geometry to one Ca(2), one Ca(3), one Ca(4), one Ca(5), one Fe(3), one Fe(4), and two equivalent Fe(2) atoms. In the fourth As site, As(4) is bonded in a 7-coordinate geometry to one Ca(2), one Ca(4), two equivalent Ca(5), one Pt(1), one Pt(2), and one As(4) atom. In the fifth As site, As(5) is bonded in a 8-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ca(5), one Fe(3), two equivalent Fe(1), and one Pt(3) atom. In the sixth As site, As(6) is bonded in a 7-coordinate geometry to one Ca(2), one Ca(5), two equivalent Ca(3), one Pt(1), one Pt(2), and one As(6) atom. In the seventh As site, As(7) is bonded in a 7-coordinate geometry to one Ca(2), one Ca(3), two equivalent Ca(1), one Pt(1), one Pt(2), and one As(7) atom. In the eighth As site, As(8) is bonded in a 8-coordinate geometry to one Ca(1), one Ca(2), one Ca(4), one Ca(5), one Fe(1), one Fe(3), and two equivalent Fe(4) atoms. In the ninth As site, As(9) is bonded in a 7-coordinate geometry to one Ca(1), one Ca(2), two equivalent Ca(4), one Pt(1), one Pt(2), and one As(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca5Fe4(As3Pt)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.911
_cell_length_b   8.891
_cell_length_c   10.935
_cell_angle_alpha   99.292
_cell_angle_beta   109.155
_cell_angle_gamma   89.934
_symmetry_Int_Tables_number   1
_cell_volume   806.353
_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
  Ca  Ca0  1  0.449  0.109  0.751  1.0
  Ca  Ca1  1  0.551  0.891  0.249  1.0
  Ca  Ca2  1  0.663  0.700  0.769  1.0
  Ca  Ca3  1  0.337  0.300  0.231  1.0
  Ca  Ca4  1  0.057  0.906  0.751  1.0
  Ca  Ca5  1  0.943  0.094  0.249  1.0
  Ca  Ca6  1  0.254  0.504  0.756  1.0
  Ca  Ca7  1  0.746  0.496  0.244  1.0
  Ca  Ca8  1  0.856  0.301  0.752  1.0
  Ca  Ca9  1  0.144  0.699  0.248  1.0
  Fe  Fe10  1  0.556  0.152  0.503  1.0
  Fe  Fe11  1  0.444  0.848  0.497  1.0
  Fe  Fe12  1  0.950  0.354  0.502  1.0
  Fe  Fe13  1  0.050  0.646  0.498  1.0
  Fe  Fe14  1  0.744  0.749  0.498  1.0
  Fe  Fe15  1  0.256  0.251  0.502  1.0
  Fe  Fe16  1  0.350  0.544  0.499  1.0
  Fe  Fe17  1  0.650  0.456  0.501  1.0
  As  As18  1  0.113  0.200  0.637  1.0
  As  As19  1  0.887  0.800  0.363  1.0
  As  As20  1  0.309  0.760  0.629  1.0
  As  As21  1  0.691  0.240  0.371  1.0
  As  As22  1  0.899  0.578  0.625  1.0
  As  As23  1  0.101  0.422  0.375  1.0
  As  As24  1  0.148  0.495  0.016  1.0
  As  As25  1  0.852  0.505  0.984  1.0
  As  As26  1  0.687  0.967  0.630  1.0
  As  As27  1  0.313  0.033  0.370  1.0
  As  As28  1  0.018  0.145  0.020  1.0
  As  As29  1  0.982  0.855  0.980  1.0
  As  As30  1  0.366  0.013  0.019  1.0
  As  As31  1  0.634  0.987  0.981  1.0
  As  As32  1  0.505  0.378  0.627  1.0
  As  As33  1  0.495  0.622  0.373  1.0
  As  As34  1  0.497  0.360  0.012  1.0
  As  As35  1  0.503  0.640  0.988  1.0
  Pt  Pt36  1  0.249  0.752  0.001  1.0
  Pt  Pt37  1  0.751  0.248  0.999  1.0
  Pt  Pt38  1  0.781  0.766  0.075  1.0
  Pt  Pt39  1  0.219  0.234  0.925  1.0
  Pt  Pt40  1  0.150  0.949  0.498  1.0
  Pt  Pt41  1  0.850  0.051  0.502  1.0
[/CIF]
.
The material described by Ca5Fe4(PtAs3)3 crystallizes in the triclinic P-1 space group. There are five inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 13-coordinate geometry to one Fe(3), two equivalent Fe(1), one Pt(1), one Pt(2), one Pt(3), one As(1), one As(2), one As(5), one As(8), one As(9), and two equivalent As(7) atoms. In the second Ca site, Ca(2) is bonded in a 13-coordinate geometry to one Fe(1), one Fe(3), two equivalent Fe(4), one Pt(2), one As(2), one As(3), one As(4), one As(5), one As(6), one As(7), one As(8), and one As(9) atom. In the third Ca site, Ca(3) is bonded in a 13-coordinate geometry to one Fe(2), one Fe(3), one Pt(1), one Pt(2), two equivalent Pt(3), one As(1), one As(2), one As(3), one As(5), one As(7), and two equivalent As(6) atoms. In the fourth Ca site, Ca(4) is bonded in a 13-coordinate geometry to one Fe(3), one Fe(4), two equivalent Fe(2), one Pt(1), one Pt(2), one As(1), one As(2), one As(3), one As(4), one As(8), and two equivalent As(9) atoms. In the fifth Ca site, Ca(5) is bonded in a 13-coordinate geometry to one Fe(1), one Fe(2), one Fe(4), one Pt(1), one Pt(2), one Pt(3), one As(1), one As(3), one As(5), one As(6), one As(8), and two equivalent As(4) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(5), two equivalent Ca(1), one Pt(3), one As(2), one As(8), and two equivalent As(5) atoms. In the second Fe site, Fe(2) is bonded to one Ca(3), one Ca(5), two equivalent Ca(4), one Pt(3), one As(1), one As(2), and two equivalent As(3) atoms to form distorted FeCa4As4Pt tetrahedra that share  a cornercorner with one Fe(3)Ca4As4Pt tetrahedra,  an edgeedge with one Fe(4)Ca4As4 tetrahedra,  an edgeedge with one Fe(3)Ca4As4Pt tetrahedra, faces with two equivalent Pt(3)Ca4Fe3As4Pt cuboctahedra,  a faceface with one Fe(4)Ca4As4 tetrahedra,  a faceface with one Fe(2)Ca4As4Pt tetrahedra, and  a faceface with one Fe(3)Ca4As4Pt tetrahedra. In the third Fe site, Fe(3) is bonded to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Pt(3), one As(1), one As(3), one As(5), and one As(8) atom to form distorted FeCa4As4Pt tetrahedra that share  a cornercorner with one Fe(2)Ca4As4Pt tetrahedra,  an edgeedge with one Fe(4)Ca4As4 tetrahedra,  an edgeedge with one Fe(2)Ca4As4Pt tetrahedra, faces with two equivalent Pt(3)Ca4Fe3As4Pt cuboctahedra,  a faceface with one Fe(4)Ca4As4 tetrahedra, and  a faceface with one Fe(2)Ca4As4Pt tetrahedra. In the fourth Fe site, Fe(4) is bonded to one Ca(4), one Ca(5), two equivalent Ca(2), one As(2), one As(3), and two equivalent As(8) atoms to form FeCa4As4 tetrahedra that share  an edgeedge with one Pt(3)Ca4Fe3As4Pt cuboctahedra,  an edgeedge with one Fe(2)Ca4As4Pt tetrahedra,  an edgeedge with one Fe(3)Ca4As4Pt tetrahedra,  a faceface with one Fe(4)Ca4As4 tetrahedra,  a faceface with one Fe(2)Ca4As4Pt tetrahedra, and  a faceface with one Fe(3)Ca4As4Pt tetrahedra. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 8-coordinate geometry to one Ca(1), one Ca(3), one Ca(4), one Ca(5), one As(4), one As(6), one As(7), and one As(9) atom. In the second Pt site, Pt(2) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Ca(5), one As(1), one As(4), one As(6), one As(7), and one As(9) atom. In the third Pt site, Pt(3) is bonded to one Ca(1), one Ca(5), two equivalent Ca(3), one Fe(1), one Fe(2), one Fe(3), one Pt(3), one As(2), one As(5), and two equivalent As(1) atoms to form distorted PtCa4Fe3As4Pt cuboctahedra that share  an edgeedge with one Fe(4)Ca4As4 tetrahedra,  a faceface with one Pt(3)Ca4Fe3As4Pt cuboctahedra, faces with two equivalent Fe(2)Ca4As4Pt tetrahedra, and faces with two equivalent Fe(3)Ca4As4Pt tetrahedra. There are nine inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to one Ca(1), one Ca(3), one Ca(4), one Ca(5), one Fe(2), one Fe(3), one Pt(2), and two equivalent Pt(3) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Fe(1), one Fe(2), one Fe(4), and one Pt(3) atom. In the third As site, As(3) is bonded in a 8-coordinate geometry to one Ca(2), one Ca(3), one Ca(4), one Ca(5), one Fe(3), one Fe(4), and two equivalent Fe(2) atoms. In the fourth As site, As(4) is bonded in a 7-coordinate geometry to one Ca(2), one Ca(4), two equivalent Ca(5), one Pt(1), one Pt(2), and one As(4) atom. In the fifth As site, As(5) is bonded in a 8-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ca(5), one Fe(3), two equivalent Fe(1), and one Pt(3) atom. In the sixth As site, As(6) is bonded in a 7-coordinate geometry to one Ca(2), one Ca(5), two equivalent Ca(3), one Pt(1), one Pt(2), and one As(6) atom. In the seventh As site, As(7) is bonded in a 7-coordinate geometry to one Ca(2), one Ca(3), two equivalent Ca(1), one Pt(1), one Pt(2), and one As(7) atom. In the eighth As site, As(8) is bonded in a 8-coordinate geometry to one Ca(1), one Ca(2), one Ca(4), one Ca(5), one Fe(1), one Fe(3), and two equivalent Fe(4) atoms. In the ninth As site, As(9) is bonded in a 7-coordinate geometry to one Ca(1), one Ca(2), two equivalent Ca(4), one Pt(1), one Pt(2), and one As(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca5Fe4(As3Pt)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.911
_cell_length_b   8.891
_cell_length_c   10.935
_cell_angle_alpha   99.292
_cell_angle_beta   109.155
_cell_angle_gamma   89.934
_symmetry_Int_Tables_number   1
_cell_volume   806.353
_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
  Ca  Ca0  1  0.449  0.109  0.751  1.0
  Ca  Ca1  1  0.551  0.891  0.249  1.0
  Ca  Ca2  1  0.663  0.700  0.769  1.0
  Ca  Ca3  1  0.337  0.300  0.231  1.0
  Ca  Ca4  1  0.057  0.906  0.751  1.0
  Ca  Ca5  1  0.943  0.094  0.249  1.0
  Ca  Ca6  1  0.254  0.504  0.756  1.0
  Ca  Ca7  1  0.746  0.496  0.244  1.0
  Ca  Ca8  1  0.856  0.301  0.752  1.0
  Ca  Ca9  1  0.144  0.699  0.248  1.0
  Fe  Fe10  1  0.556  0.152  0.503  1.0
  Fe  Fe11  1  0.444  0.848  0.497  1.0
  Fe  Fe12  1  0.950  0.354  0.502  1.0
  Fe  Fe13  1  0.050  0.646  0.498  1.0
  Fe  Fe14  1  0.744  0.749  0.498  1.0
  Fe  Fe15  1  0.256  0.251  0.502  1.0
  Fe  Fe16  1  0.350  0.544  0.499  1.0
  Fe  Fe17  1  0.650  0.456  0.501  1.0
  As  As18  1  0.113  0.200  0.637  1.0
  As  As19  1  0.887  0.800  0.363  1.0
  As  As20  1  0.309  0.760  0.629  1.0
  As  As21  1  0.691  0.240  0.371  1.0
  As  As22  1  0.899  0.578  0.625  1.0
  As  As23  1  0.101  0.422  0.375  1.0
  As  As24  1  0.148  0.495  0.016  1.0
  As  As25  1  0.852  0.505  0.984  1.0
  As  As26  1  0.687  0.967  0.630  1.0
  As  As27  1  0.313  0.033  0.370  1.0
  As  As28  1  0.018  0.145  0.020  1.0
  As  As29  1  0.982  0.855  0.980  1.0
  As  As30  1  0.366  0.013  0.019  1.0
  As  As31  1  0.634  0.987  0.981  1.0
  As  As32  1  0.505  0.378  0.627  1.0
  As  As33  1  0.495  0.622  0.373  1.0
  As  As34  1  0.497  0.360  0.012  1.0
  As  As35  1  0.503  0.640  0.988  1.0
  Pt  Pt36  1  0.249  0.752  0.001  1.0
  Pt  Pt37  1  0.751  0.248  0.999  1.0
  Pt  Pt38  1  0.781  0.766  0.075  1.0
  Pt  Pt39  1  0.219  0.234  0.925  1.0
  Pt  Pt40  1  0.150  0.949  0.498  1.0
  Pt  Pt41  1  0.850  0.051  0.502  1.0
[/CIF]
.