data_Er2FeC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   110.25
_cell_angle_beta   86.96
_cell_angle_gamma   134.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2FeC4
_chemical_formula_sum   'Er4 Fe2 C8'
_cell_volume   175.63
_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
  Er  Er8  1  0.57  0.63  0.49  1.0
  Er  Er9  1  0.57  0.37  0.0  1.0
  Er  Er10  1  0.16  0.35  0.49  1.0
  Er  Er11  1  0.16  0.1  0.0  1.0
  Fe  Fe12  1  0.0  0.0  0.25  1.0
  Fe  Fe13  1  0.0  0.0  0.74  1.0
  C  C0  1  0.52  0.99  0.49  1.0
  C  C1  1  0.8  0.51  0.49  1.0
  C  C2  1  0.24  0.74  0.49  1.0
  C  C3  1  0.53  0.22  0.49  1.0
  C  C4  1  0.2  0.51  0.0  1.0
  C  C5  1  0.48  0.99  0.0  1.0
  C  C6  1  0.92  0.22  0.0  1.0
  C  C7  1  0.21  0.74  0.0  1.0

data_Er2FeC4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.99
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   69.75
_cell_angle_beta   67.49
_cell_angle_gamma   67.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2FeC4
_chemical_formula_sum   'Er4 Fe2 C8'
_cell_volume   175.63
_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
  Er  Er0  1  0.1  -0.0  0.06  1.0
  Er  Er1  1  0.13  0.49  0.94  1.0
  Er  Er2  1  0.37  -0.0  0.2  1.0
  Er  Er3  1  0.86  0.49  0.8  1.0
  Fe  Fe4  1  0.26  0.74  0.0  1.0
  Fe  Fe5  1  0.75  0.25  0.0  1.0
  C  C6  1  0.02  0.49  0.29  1.0
  C  C7  1  0.22  -0.0  0.71  1.0
  C  C8  1  0.24  0.49  0.5  1.0
  C  C9  1  0.5  0.49  0.53  1.0
  C  C10  1  0.51  -0.0  0.69  1.0
  C  C11  1  0.72  0.49  0.31  1.0
  C  C12  1  0.74  -0.0  0.47  1.0
  C  C13  1  0.99  -0.0  0.49  1.0

Er Er Er Er Fe Fe C C C C C C C C
Er Er Er Er Fe Fe C C C C C C C C 0 2 o o o 0 7 o o o 0 5 + + o 1 3 o o o 1 11 o - o 2 8 o o o 2 4 o o o 3 5 o o - 3 4 o o o 6 8 o o o 6 9 o + o 7 9 o o o 10 12 - o o 10 13 o o o 11 13 o o o 
Er2FeC4 crystallizes in the triclinic P1 space group. There are four inequivalent Er sites. In the first Er site, Er(1) is bonded in a 2-coordinate geometry to one Fe(2), one C(1), one C(2), and one C(4) atom. The Er(1)-Fe(2) bond length is 2.13 Å. The Er(1)-C(1) bond length is 2.62 Å. The Er(1)-C(2) bond length is 2.13 Å. The Er(1)-C(4) bond length is 2.48 Å. In the second Er site, Er(2) is bonded in a 1-coordinate geometry to one C(4), one C(6), and one C(8) atom. The Er(2)-C(4) bond length is 3.06 Å. The Er(2)-C(6) bond length is 2.15 Å. The Er(2)-C(8) bond length is 3.01 Å. In the third Er site, Er(3) is bonded in a distorted bent 120 degrees geometry to one Fe(1), one C(1), and one C(3) atom. The Er(3)-Fe(1) bond length is 1.80 Å. The Er(3)-C(1) bond length is 3.01 Å. The Er(3)-C(3) bond length is 2.15 Å. In the fourth Er site, Er(4) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), one C(7), and one C(8) atom. The Er(4)-Fe(1) bond length is 1.91 Å. The Er(4)-Fe(2) bond length is 1.68 Å. The Er(4)-C(7) bond length is 2.13 Å. The Er(4)-C(8) bond length is 2.62 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one Er(3) and one Er(4) atom. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one Er(1), one Er(4), one C(2), and one C(7) atom. The Fe(2)-C(2) bond length is 2.30 Å. The Fe(2)-C(7) bond length is 2.09 Å. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a 4-coordinate geometry to one Er(1), one Er(3), one C(3), and one C(4) atom. The C(1)-C(3) bond length is 1.32 Å. The C(1)-C(4) bond length is 1.44 Å. In the second C site, C(2) is bonded in a 3-coordinate geometry to one Er(1), one Fe(2), and one C(4) atom. The C(2)-C(4) bond length is 1.41 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one Er(3) and one C(1) atom. In the fourth C site, C(4) is bonded in a 4-coordinate geometry to one Er(1), one Er(2), one C(1), and one C(2) atom. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(7) and one C(8) atom. The C(5)-C(7) bond length is 1.41 Å. The C(5)-C(8) bond length is 1.44 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one Er(2) and one C(8) atom. The C(6)-C(8) bond length is 1.32 Å. In the seventh C site, C(7) is bonded in a 3-coordinate geometry to one Er(4), one Fe(2), and one C(5) atom. In the eighth C site, C(8) is bonded in a 4-coordinate geometry to one Er(2), one Er(4), one C(5), and one C(6) atom.