The compound described by Er15Ru4Fe4C25 crystallizes in the triclinic P1 space group. There are fifteen inequivalent Er sites. In the first Er site, Er(1) is bonded in a 8-coordinate geometry to one C(1), one C(13), one C(14), one C(19), one C(7), two equivalent C(10), and two equivalent C(4) atoms. In the second Er site, Er(2) is bonded in a 8-coordinate geometry to one C(14), one C(15), one C(2), one C(20), one C(8), two equivalent C(11), and two equivalent C(5) atoms. In the third Er site, Er(3) is bonded in a 8-coordinate geometry to one C(13), one C(15), one C(21), one C(3), one C(9), two equivalent C(12), and two equivalent C(6) atoms. In the fourth Er site, Er(4) is bonded in a 8-coordinate geometry to one C(10), one C(16), one C(18), one C(22), one C(4), one C(7), and two equivalent C(1) atoms. In the fifth Er site, Er(5) is bonded in a 8-coordinate geometry to one C(11), one C(16), one C(17), one C(23), one C(5), one C(8), and two equivalent C(2) atoms. In the sixth Er site, Er(6) is bonded in a 8-coordinate geometry to one C(12), one C(17), one C(18), one C(24), one C(6), one C(9), and two equivalent C(3) atoms. In the seventh Er site, Er(7) is bonded in a 5-coordinate geometry to one C(1), one C(2), one C(21), and two equivalent C(16) atoms. In the eighth Er site, Er(8) is bonded in a 5-coordinate geometry to one C(19), one C(2), one C(3), and two equivalent C(17) atoms. In the ninth Er site, Er(9) is bonded in a 5-coordinate geometry to one C(1), one C(20), one C(3), and two equivalent C(18) atoms. In the tenth Er site, Er(10) is bonded in a 5-coordinate geometry to one C(10), one C(23), one C(4), one C(6), two equivalent C(13), and two equivalent C(19) atoms. In the eleventh Er site, Er(11) is bonded in a 5-coordinate geometry to one C(11), one C(24), one C(4), one C(5), two equivalent C(14), and two equivalent C(20) atoms. In the twelfth Er site, Er(12) is bonded in a 5-coordinate geometry to one C(12), one C(22), one C(5), one C(6), two equivalent C(15), and two equivalent C(21) atoms. In the thirteenth Er site, Er(13) is bonded in a 8-coordinate geometry to one Ru(4), two equivalent Fe(1), one C(12), one C(21), one C(22), one C(25), and one C(7) atom. In the fourteenth Er site, Er(14) is bonded in a 8-coordinate geometry to one Ru(2), two equivalent Fe(2), one C(10), one C(19), one C(23), one C(25), and one C(8) atom. In the fifteenth Er site, Er(15) is bonded in a 8-coordinate geometry to one Ru(3), two equivalent Fe(3), one C(11), one C(20), one C(24), one C(25), and one C(9) atom. There are four inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a trigonal planar geometry to one C(16), one C(17), and one C(18) atom. In the second Ru site, Ru(2) is bonded in a 3-coordinate geometry to one Er(14), one C(11), one C(25), and one C(8) atom. In the third Ru site, Ru(3) is bonded in a 3-coordinate geometry to one Er(15), one C(12), one C(25), and one C(9) atom. In the fourth Ru site, Ru(4) is bonded in a 3-coordinate geometry to one Er(13), one C(10), one C(25), and one C(7) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to two equivalent Er(13), one C(12), one C(21), one C(22), and one C(7) atom. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to two equivalent Er(14), one C(10), one C(19), one C(23), and one C(8) atom. In the third Fe site, Fe(3) is bonded in a 4-coordinate geometry to two equivalent Er(15), one C(11), one C(20), one C(24), and one C(9) atom. In the fourth Fe site, Fe(4) is bonded in a trigonal planar geometry to one C(13), one C(14), and one C(15) atom. There are twenty-five inequivalent C sites. In the first C site, C(1) is bonded to one Er(1), one Er(7), one Er(9), two equivalent Er(4), and one C(7) atom to form CEr5C octahedra that share  a cornercorner with one C(14)Er4FeC octahedra,  a cornercorner with one C(2)Er5C octahedra,  a cornercorner with one C(3)Er5C octahedra, corners with two equivalent C(1)Er5C octahedra, and edges with two equivalent C(4)Er5C octahedra. The corner-sharing octahedral tilt angles range from 9-81°. In the second C site, C(2) is bonded to one Er(2), one Er(7), one Er(8), two equivalent Er(5), and one C(8) atom to form CEr5C octahedra that share  a cornercorner with one C(14)Er4FeC octahedra,  a cornercorner with one C(1)Er5C octahedra,  a cornercorner with one C(3)Er5C octahedra, corners with two equivalent C(2)Er5C octahedra, and edges with two equivalent C(5)Er5C octahedra. The corner-sharing octahedral tilt angles range from 3-33°. In the third C site, C(3) is bonded to one Er(3), one Er(8), one Er(9), two equivalent Er(6), and one C(9) atom to form a mixture of corner and edge-sharing CEr5C octahedra. The corner-sharing octahedral tilt angles range from 9-33°. In the fourth C site, C(4) is bonded to one Er(10), one Er(11), one Er(4), two equivalent Er(1), and one C(10) atom to form CEr5C octahedra that share  a cornercorner with one C(5)Er5C octahedra,  a cornercorner with one C(6)Er5C octahedra, corners with two equivalent C(4)Er5C octahedra, edges with two equivalent C(14)Er4FeC octahedra, and edges with two equivalent C(1)Er5C octahedra. The corner-sharing octahedral tilt angles range from 9-34°. In the fifth C site, C(5) is bonded to one Er(11), one Er(12), one Er(5), two equivalent Er(2), and one C(11) atom to form CEr5C octahedra that share  a cornercorner with one C(4)Er5C octahedra,  a cornercorner with one C(6)Er5C octahedra, corners with two equivalent C(5)Er5C octahedra, edges with two equivalent C(14)Er4FeC octahedra, and edges with two equivalent C(2)Er5C octahedra. The corner-sharing octahedral tilt angles range from 8-34°. In the sixth C site, C(6) is bonded to one Er(10), one Er(12), one Er(6), two equivalent Er(3), and one C(12) atom to form a mixture of corner and edge-sharing CEr5C octahedra. The corner-sharing octahedral tilt angles range from 9-34°. In the seventh C site, C(7) is bonded in a 5-coordinate geometry to one Er(1), one Er(13), one Er(4), one Ru(4), one Fe(1), and one C(1) atom. In the eighth C site, C(8) is bonded in a 5-coordinate geometry to one Er(14), one Er(2), one Er(5), one Ru(2), one Fe(2), and one C(2) atom. In the ninth C site, C(9) is bonded in a 5-coordinate geometry to one Er(15), one Er(3), one Er(6), one Ru(3), one Fe(3), and one C(3) atom. In the tenth C site, C(10) is bonded in a 8-coordinate geometry to one Er(10), one Er(14), one Er(4), two equivalent Er(1), one Ru(4), one Fe(2), and one C(4) atom. In the eleventh C site, C(11) is bonded in a 8-coordinate geometry to one Er(11), one Er(15), one Er(5), two equivalent Er(2), one Ru(2), one Fe(3), and one C(5) atom. In the twelfth C site, C(12) is bonded in a 8-coordinate geometry to one Er(12), one Er(13), one Er(6), two equivalent Er(3), one Ru(3), one Fe(1), and one C(6) atom. In the thirteenth C site, C(13) is bonded in a 6-coordinate geometry to one Er(1), one Er(3), two equivalent Er(10), one Fe(4), and one C(19) atom. In the fourteenth C site, C(14) is bonded to one Er(1), one Er(2), two equivalent Er(11), one Fe(4), and one C(20) atom to form distorted CEr4FeC octahedra that share  a cornercorner with one C(1)Er5C octahedra,  a cornercorner with one C(2)Er5C octahedra, corners with two equivalent C(14)Er4FeC octahedra, edges with two equivalent C(4)Er5C octahedra, and edges with two equivalent C(5)Er5C octahedra. The corner-sharing octahedral tilt angles range from 3-81°. In the fifteenth C site, C(15) is bonded in a 6-coordinate geometry to one Er(2), one Er(3), two equivalent Er(12), one Fe(4), and one C(21) atom. In the sixteenth C site, C(16) is bonded in a 6-coordinate geometry to one Er(4), one Er(5), two equivalent Er(7), one Ru(1), and one C(22) atom. In the seventeenth C site, C(17) is bonded in a 6-coordinate geometry to one Er(5), one Er(6), two equivalent Er(8), one Ru(1), and one C(23) atom. In the eighteenth C site, C(18) is bonded in a 6-coordinate geometry to one Er(4), one Er(6), two equivalent Er(9), one Ru(1), and one C(24) atom. In the nineteenth C site, C(19) is bonded in a 7-coordinate geometry to one Er(1), one Er(14), one Er(8), two equivalent Er(10), one Fe(2), and one C(13) atom. In the twentieth C site, C(20) is bonded in a 7-coordinate geometry to one Er(15), one Er(2), one Er(9), two equivalent Er(11), one Fe(3), and one C(14) atom. In the twenty-first C site, C(21) is bonded in a 7-coordinate geometry to one Er(13), one Er(3), one Er(7), two equivalent Er(12), one Fe(1), and one C(15) atom. In the twenty-second C site, C(22) is bonded in a 1-coordinate geometry to one Er(12), one Er(13), one Er(4), one Fe(1), and one C(16) atom. In the twenty-third C site, C(23) is bonded in a 1-coordinate geometry to one Er(10), one Er(14), one Er(5), one Fe(2), and one C(17) atom. In the twenty-fourth C site, C(24) is bonded in a 1-coordinate geometry to one Er(11), one Er(15), one Er(6), one Fe(3), and one C(18) atom. In the twenty-fifth C site, C(25) is bonded in an octahedral geometry to one Er(13), one Er(14), one Er(15), one Ru(2), one Ru(3), and one Ru(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er15Fe4Ru4C25
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.076
_cell_length_b   12.004
_cell_length_c   12.007
_cell_angle_alpha   120.007
_cell_angle_beta   90.009
_cell_angle_gamma   89.981
_symmetry_Int_Tables_number   1
_cell_volume   633.534
_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
  Er  Er0  1  0.252  0.117  0.709  1.0
  Er  Er1  1  0.252  0.291  0.408  1.0
  Er  Er2  1  0.252  0.593  0.883  1.0
  Er  Er3  1  0.743  0.884  0.597  1.0
  Er  Er4  1  0.743  0.403  0.288  1.0
  Er  Er5  1  0.743  0.712  0.115  1.0
  Er  Er6  1  0.241  0.636  0.489  1.0
  Er  Er7  1  0.242  0.511  0.146  1.0
  Er  Er8  1  0.242  0.853  0.365  1.0
  Er  Er9  1  0.755  0.364  0.853  1.0
  Er  Er10  1  0.755  0.147  0.511  1.0
  Er  Er11  1  0.755  0.489  0.636  1.0
  Er  Er12  1  0.506  0.830  0.831  1.0
  Er  Er13  1  0.505  0.169  0.999  1.0
  Er  Er14  1  0.506  0.001  0.169  1.0
  Fe  Fe15  1  0.010  0.745  0.744  1.0
  Fe  Fe16  1  0.009  0.256  0.000  1.0
  Fe  Fe17  1  0.010  0.999  0.255  1.0
  Fe  Fe18  1  0.265  0.333  0.667  1.0
  Ru  Ru19  1  0.741  0.667  0.333  1.0
  Ru  Ru20  1  0.006  0.137  0.136  1.0
  Ru  Ru21  1  0.005  0.864  0.000  1.0
  Ru  Ru22  1  0.006  1.000  0.864  1.0
  C  C23  1  0.242  0.876  0.577  1.0
  C  C24  1  0.241  0.424  0.300  1.0
  C  C25  1  0.241  0.700  0.124  1.0
  C  C26  1  0.758  0.125  0.699  1.0
  C  C27  1  0.758  0.301  0.426  1.0
  C  C28  1  0.758  0.574  0.875  1.0
  C  C29  1  0.187  0.883  0.693  1.0
  C  C30  1  0.188  0.307  0.191  1.0
  C  C31  1  0.188  0.810  0.117  1.0
  C  C32  1  0.802  0.111  0.805  1.0
  C  C33  1  0.802  0.195  0.305  1.0
  C  C34  1  0.802  0.695  0.889  1.0
  C  C35  1  0.258  0.356  0.829  1.0
  C  C36  1  0.257  0.171  0.527  1.0
  C  C37  1  0.258  0.473  0.644  1.0
  C  C38  1  0.739  0.638  0.481  1.0
  C  C39  1  0.739  0.519  0.158  1.0
  C  C40  1  0.740  0.843  0.362  1.0
  C  C41  1  0.237  0.321  0.920  1.0
  C  C42  1  0.237  0.080  0.401  1.0
  C  C43  1  0.237  0.599  0.680  1.0
  C  C44  1  0.763  0.682  0.608  1.0
  C  C45  1  0.763  0.392  0.074  1.0
  C  C46  1  0.763  0.926  0.318  1.0
  C  C47  1  0.252  1.000  1.000  1.0
[/CIF]
.
The compound described by Er15Ru4Fe4C25 crystallizes in the triclinic P1 space group. There are fifteen inequivalent Er sites. In the first Er site, Er(1) is bonded in a 8-coordinate geometry to one C(1), one C(13), one C(14), one C(19), one C(7), two equivalent C(10), and two equivalent C(4) atoms. In the second Er site, Er(2) is bonded in a 8-coordinate geometry to one C(14), one C(15), one C(2), one C(20), one C(8), two equivalent C(11), and two equivalent C(5) atoms. In the third Er site, Er(3) is bonded in a 8-coordinate geometry to one C(13), one C(15), one C(21), one C(3), one C(9), two equivalent C(12), and two equivalent C(6) atoms. In the fourth Er site, Er(4) is bonded in a 8-coordinate geometry to one C(10), one C(16), one C(18), one C(22), one C(4), one C(7), and two equivalent C(1) atoms. In the fifth Er site, Er(5) is bonded in a 8-coordinate geometry to one C(11), one C(16), one C(17), one C(23), one C(5), one C(8), and two equivalent C(2) atoms. In the sixth Er site, Er(6) is bonded in a 8-coordinate geometry to one C(12), one C(17), one C(18), one C(24), one C(6), one C(9), and two equivalent C(3) atoms. In the seventh Er site, Er(7) is bonded in a 5-coordinate geometry to one C(1), one C(2), one C(21), and two equivalent C(16) atoms. In the eighth Er site, Er(8) is bonded in a 5-coordinate geometry to one C(19), one C(2), one C(3), and two equivalent C(17) atoms. In the ninth Er site, Er(9) is bonded in a 5-coordinate geometry to one C(1), one C(20), one C(3), and two equivalent C(18) atoms. In the tenth Er site, Er(10) is bonded in a 5-coordinate geometry to one C(10), one C(23), one C(4), one C(6), two equivalent C(13), and two equivalent C(19) atoms. In the eleventh Er site, Er(11) is bonded in a 5-coordinate geometry to one C(11), one C(24), one C(4), one C(5), two equivalent C(14), and two equivalent C(20) atoms. In the twelfth Er site, Er(12) is bonded in a 5-coordinate geometry to one C(12), one C(22), one C(5), one C(6), two equivalent C(15), and two equivalent C(21) atoms. In the thirteenth Er site, Er(13) is bonded in a 8-coordinate geometry to one Ru(4), two equivalent Fe(1), one C(12), one C(21), one C(22), one C(25), and one C(7) atom. In the fourteenth Er site, Er(14) is bonded in a 8-coordinate geometry to one Ru(2), two equivalent Fe(2), one C(10), one C(19), one C(23), one C(25), and one C(8) atom. In the fifteenth Er site, Er(15) is bonded in a 8-coordinate geometry to one Ru(3), two equivalent Fe(3), one C(11), one C(20), one C(24), one C(25), and one C(9) atom. There are four inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a trigonal planar geometry to one C(16), one C(17), and one C(18) atom. In the second Ru site, Ru(2) is bonded in a 3-coordinate geometry to one Er(14), one C(11), one C(25), and one C(8) atom. In the third Ru site, Ru(3) is bonded in a 3-coordinate geometry to one Er(15), one C(12), one C(25), and one C(9) atom. In the fourth Ru site, Ru(4) is bonded in a 3-coordinate geometry to one Er(13), one C(10), one C(25), and one C(7) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to two equivalent Er(13), one C(12), one C(21), one C(22), and one C(7) atom. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to two equivalent Er(14), one C(10), one C(19), one C(23), and one C(8) atom. In the third Fe site, Fe(3) is bonded in a 4-coordinate geometry to two equivalent Er(15), one C(11), one C(20), one C(24), and one C(9) atom. In the fourth Fe site, Fe(4) is bonded in a trigonal planar geometry to one C(13), one C(14), and one C(15) atom. There are twenty-five inequivalent C sites. In the first C site, C(1) is bonded to one Er(1), one Er(7), one Er(9), two equivalent Er(4), and one C(7) atom to form CEr5C octahedra that share  a cornercorner with one C(14)Er4FeC octahedra,  a cornercorner with one C(2)Er5C octahedra,  a cornercorner with one C(3)Er5C octahedra, corners with two equivalent C(1)Er5C octahedra, and edges with two equivalent C(4)Er5C octahedra. The corner-sharing octahedral tilt angles range from 9-81°. In the second C site, C(2) is bonded to one Er(2), one Er(7), one Er(8), two equivalent Er(5), and one C(8) atom to form CEr5C octahedra that share  a cornercorner with one C(14)Er4FeC octahedra,  a cornercorner with one C(1)Er5C octahedra,  a cornercorner with one C(3)Er5C octahedra, corners with two equivalent C(2)Er5C octahedra, and edges with two equivalent C(5)Er5C octahedra. The corner-sharing octahedral tilt angles range from 3-33°. In the third C site, C(3) is bonded to one Er(3), one Er(8), one Er(9), two equivalent Er(6), and one C(9) atom to form a mixture of corner and edge-sharing CEr5C octahedra. The corner-sharing octahedral tilt angles range from 9-33°. In the fourth C site, C(4) is bonded to one Er(10), one Er(11), one Er(4), two equivalent Er(1), and one C(10) atom to form CEr5C octahedra that share  a cornercorner with one C(5)Er5C octahedra,  a cornercorner with one C(6)Er5C octahedra, corners with two equivalent C(4)Er5C octahedra, edges with two equivalent C(14)Er4FeC octahedra, and edges with two equivalent C(1)Er5C octahedra. The corner-sharing octahedral tilt angles range from 9-34°. In the fifth C site, C(5) is bonded to one Er(11), one Er(12), one Er(5), two equivalent Er(2), and one C(11) atom to form CEr5C octahedra that share  a cornercorner with one C(4)Er5C octahedra,  a cornercorner with one C(6)Er5C octahedra, corners with two equivalent C(5)Er5C octahedra, edges with two equivalent C(14)Er4FeC octahedra, and edges with two equivalent C(2)Er5C octahedra. The corner-sharing octahedral tilt angles range from 8-34°. In the sixth C site, C(6) is bonded to one Er(10), one Er(12), one Er(6), two equivalent Er(3), and one C(12) atom to form a mixture of corner and edge-sharing CEr5C octahedra. The corner-sharing octahedral tilt angles range from 9-34°. In the seventh C site, C(7) is bonded in a 5-coordinate geometry to one Er(1), one Er(13), one Er(4), one Ru(4), one Fe(1), and one C(1) atom. In the eighth C site, C(8) is bonded in a 5-coordinate geometry to one Er(14), one Er(2), one Er(5), one Ru(2), one Fe(2), and one C(2) atom. In the ninth C site, C(9) is bonded in a 5-coordinate geometry to one Er(15), one Er(3), one Er(6), one Ru(3), one Fe(3), and one C(3) atom. In the tenth C site, C(10) is bonded in a 8-coordinate geometry to one Er(10), one Er(14), one Er(4), two equivalent Er(1), one Ru(4), one Fe(2), and one C(4) atom. In the eleventh C site, C(11) is bonded in a 8-coordinate geometry to one Er(11), one Er(15), one Er(5), two equivalent Er(2), one Ru(2), one Fe(3), and one C(5) atom. In the twelfth C site, C(12) is bonded in a 8-coordinate geometry to one Er(12), one Er(13), one Er(6), two equivalent Er(3), one Ru(3), one Fe(1), and one C(6) atom. In the thirteenth C site, C(13) is bonded in a 6-coordinate geometry to one Er(1), one Er(3), two equivalent Er(10), one Fe(4), and one C(19) atom. In the fourteenth C site, C(14) is bonded to one Er(1), one Er(2), two equivalent Er(11), one Fe(4), and one C(20) atom to form distorted CEr4FeC octahedra that share  a cornercorner with one C(1)Er5C octahedra,  a cornercorner with one C(2)Er5C octahedra, corners with two equivalent C(14)Er4FeC octahedra, edges with two equivalent C(4)Er5C octahedra, and edges with two equivalent C(5)Er5C octahedra. The corner-sharing octahedral tilt angles range from 3-81°. In the fifteenth C site, C(15) is bonded in a 6-coordinate geometry to one Er(2), one Er(3), two equivalent Er(12), one Fe(4), and one C(21) atom. In the sixteenth C site, C(16) is bonded in a 6-coordinate geometry to one Er(4), one Er(5), two equivalent Er(7), one Ru(1), and one C(22) atom. In the seventeenth C site, C(17) is bonded in a 6-coordinate geometry to one Er(5), one Er(6), two equivalent Er(8), one Ru(1), and one C(23) atom. In the eighteenth C site, C(18) is bonded in a 6-coordinate geometry to one Er(4), one Er(6), two equivalent Er(9), one Ru(1), and one C(24) atom. In the nineteenth C site, C(19) is bonded in a 7-coordinate geometry to one Er(1), one Er(14), one Er(8), two equivalent Er(10), one Fe(2), and one C(13) atom. In the twentieth C site, C(20) is bonded in a 7-coordinate geometry to one Er(15), one Er(2), one Er(9), two equivalent Er(11), one Fe(3), and one C(14) atom. In the twenty-first C site, C(21) is bonded in a 7-coordinate geometry to one Er(13), one Er(3), one Er(7), two equivalent Er(12), one Fe(1), and one C(15) atom. In the twenty-second C site, C(22) is bonded in a 1-coordinate geometry to one Er(12), one Er(13), one Er(4), one Fe(1), and one C(16) atom. In the twenty-third C site, C(23) is bonded in a 1-coordinate geometry to one Er(10), one Er(14), one Er(5), one Fe(2), and one C(17) atom. In the twenty-fourth C site, C(24) is bonded in a 1-coordinate geometry to one Er(11), one Er(15), one Er(6), one Fe(3), and one C(18) atom. In the twenty-fifth C site, C(25) is bonded in an octahedral geometry to one Er(13), one Er(14), one Er(15), one Ru(2), one Ru(3), and one Ru(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er15Fe4Ru4C25
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.076
_cell_length_b   12.004
_cell_length_c   12.007
_cell_angle_alpha   120.007
_cell_angle_beta   90.009
_cell_angle_gamma   89.981
_symmetry_Int_Tables_number   1
_cell_volume   633.534
_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
  Er  Er0  1  0.252  0.117  0.709  1.0
  Er  Er1  1  0.252  0.291  0.408  1.0
  Er  Er2  1  0.252  0.593  0.883  1.0
  Er  Er3  1  0.743  0.884  0.597  1.0
  Er  Er4  1  0.743  0.403  0.288  1.0
  Er  Er5  1  0.743  0.712  0.115  1.0
  Er  Er6  1  0.241  0.636  0.489  1.0
  Er  Er7  1  0.242  0.511  0.146  1.0
  Er  Er8  1  0.242  0.853  0.365  1.0
  Er  Er9  1  0.755  0.364  0.853  1.0
  Er  Er10  1  0.755  0.147  0.511  1.0
  Er  Er11  1  0.755  0.489  0.636  1.0
  Er  Er12  1  0.506  0.830  0.831  1.0
  Er  Er13  1  0.505  0.169  0.999  1.0
  Er  Er14  1  0.506  0.001  0.169  1.0
  Fe  Fe15  1  0.010  0.745  0.744  1.0
  Fe  Fe16  1  0.009  0.256  0.000  1.0
  Fe  Fe17  1  0.010  0.999  0.255  1.0
  Fe  Fe18  1  0.265  0.333  0.667  1.0
  Ru  Ru19  1  0.741  0.667  0.333  1.0
  Ru  Ru20  1  0.006  0.137  0.136  1.0
  Ru  Ru21  1  0.005  0.864  0.000  1.0
  Ru  Ru22  1  0.006  1.000  0.864  1.0
  C  C23  1  0.242  0.876  0.577  1.0
  C  C24  1  0.241  0.424  0.300  1.0
  C  C25  1  0.241  0.700  0.124  1.0
  C  C26  1  0.758  0.125  0.699  1.0
  C  C27  1  0.758  0.301  0.426  1.0
  C  C28  1  0.758  0.574  0.875  1.0
  C  C29  1  0.187  0.883  0.693  1.0
  C  C30  1  0.188  0.307  0.191  1.0
  C  C31  1  0.188  0.810  0.117  1.0
  C  C32  1  0.802  0.111  0.805  1.0
  C  C33  1  0.802  0.195  0.305  1.0
  C  C34  1  0.802  0.695  0.889  1.0
  C  C35  1  0.258  0.356  0.829  1.0
  C  C36  1  0.257  0.171  0.527  1.0
  C  C37  1  0.258  0.473  0.644  1.0
  C  C38  1  0.739  0.638  0.481  1.0
  C  C39  1  0.739  0.519  0.158  1.0
  C  C40  1  0.740  0.843  0.362  1.0
  C  C41  1  0.237  0.321  0.920  1.0
  C  C42  1  0.237  0.080  0.401  1.0
  C  C43  1  0.237  0.599  0.680  1.0
  C  C44  1  0.763  0.682  0.608  1.0
  C  C45  1  0.763  0.392  0.074  1.0
  C  C46  1  0.763  0.926  0.318  1.0
  C  C47  1  0.252  1.000  1.000  1.0
[/CIF]
.