data_ErRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   8.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErRu2
_chemical_formula_sum   'Er4 Ru8'
_cell_volume   212.01
_cell_formula_units_Z   4
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  0.0  0.02  0.86  1.0
  Er  Er1  1  0.62  0.51  0.06  1.0
  Er  Er2  1  0.62  0.51  0.32  1.0
  Er  Er3  1  0.0  0.02  0.6  1.0
  Ru  Ru4  1  0.0  0.0  0.46  1.0
  Ru  Ru5  1  0.0  0.0  0.0  1.0
  Ru  Ru6  1  0.89  0.78  0.23  1.0
  Ru  Ru7  1  0.62  0.98  0.23  1.0
  Ru  Ru8  1  0.35  0.78  0.23  1.0
  Ru  Ru9  1  0.73  0.76  0.69  1.0
  Ru  Ru10  1  0.0  0.56  0.69  1.0
  Ru  Ru11  1  0.27  0.76  0.69  1.0

data_ErRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   8.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErRu2
_chemical_formula_sum   'Er4 Ru8'
_cell_volume   212.01
_cell_formula_units_Z   4
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  0.0  0.02  0.6  1.0
  Er  Er1  1  0.0  0.02  0.86  1.0
  Er  Er2  1  0.62  0.51  0.06  1.0
  Er  Er3  1  0.62  0.51  0.32  1.0
  Ru  Ru4  1  0.0  0.0  0.0  1.0
  Ru  Ru5  1  0.0  0.0  0.46  1.0
  Ru  Ru6  1  0.0  0.56  0.69  1.0
  Ru  Ru7  1  0.27  0.76  0.69  1.0
  Ru  Ru8  1  0.35  0.78  0.23  1.0
  Ru  Ru9  1  0.62  0.98  0.23  1.0
  Ru  Ru10  1  0.73  0.76  0.69  1.0
  Ru  Ru11  1  0.89  0.78  0.23  1.0

Er Er Er Er Ru Ru Ru Ru Ru Ru Ru Ru
Er Er Er Er Ru Ru Ru Ru Ru Ru Ru Ru 0 5 o o + 1 5 + + o 1 6 o o o 1 2 o o o 2 6 o o o 3 4 o o o 3 9 - - o 7 8 o o o 10 11 o o o 
ErRu2 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 Ru(2), one Ru(6), and one Ru(8) atom. The Er(1)-Ru(2) bond length is 1.24 Å. The Er(1)-Ru(6) bond length is 2.08 Å. The Er(1)-Ru(8) bond length is 2.88 Å. In the second Er site, Er(2) is bonded in a 2-coordinate geometry to one Ru(2), one Ru(3), one Ru(5), and two equivalent Ru(4) atoms. The Er(2)-Ru(2) bond length is 2.38 Å. The Er(2)-Ru(3) bond length is 2.08 Å. The Er(2)-Ru(5) bond length is 2.88 Å. There is one shorter (2.89 Å) and one longer (3.18 Å) Er(2)-Ru(4) bond length. In the third Er site, Er(3) is bonded in a single-bond geometry to one Ru(3), one Ru(5), and two equivalent Ru(4) atoms. The Er(3)-Ru(3) bond length is 1.63 Å. The Er(3)-Ru(5) bond length is 2.57 Å. There is one shorter (2.58 Å) and one longer (2.91 Å) Er(3)-Ru(4) bond length. In the fourth Er site, Er(4) is bonded in a bent 120 degrees geometry to one Ru(1), one Ru(6), one Ru(7), and one Ru(8) atom. The Er(4)-Ru(1) bond length is 1.24 Å. The Er(4)-Ru(6) bond length is 1.63 Å. The Er(4)-Ru(7) bond length is 2.91 Å. The Er(4)-Ru(8) bond length is 2.57 Å. There are eight inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a single-bond geometry to one Er(4) and one Ru(4) atom. The Ru(1)-Ru(4) bond length is 2.83 Å. In the second Ru site, Ru(2) is bonded in a distorted single-bond geometry to one Er(1), one Er(2), and one Ru(4) atom. The Ru(2)-Ru(4) bond length is 2.83 Å. In the third Ru site, Ru(3) is bonded in a 2-coordinate geometry to one Er(2), one Er(3), one Ru(4), and one Ru(5) atom. The Ru(3)-Ru(4) bond length is 2.15 Å. The Ru(3)-Ru(5) bond length is 2.40 Å. In the fourth Ru site, Ru(4) is bonded in a 8-coordinate geometry to two equivalent Er(2), two equivalent Er(3), one Ru(1), one Ru(2), one Ru(3), and one Ru(5) atom. The Ru(4)-Ru(5) bond length is 1.28 Å. In the fifth Ru site, Ru(5) is bonded in a 4-coordinate geometry to one Er(2), one Er(3), one Ru(3), and one Ru(4) atom. In the sixth Ru site, Ru(6) is bonded in a 2-coordinate geometry to one Er(1), one Er(4), and one Ru(8) atom. The Ru(6)-Ru(8) bond length is 2.40 Å. In the seventh Ru site, Ru(7) is bonded in a 2-coordinate geometry to one Er(4) and one Ru(8) atom. The Ru(7)-Ru(8) bond length is 1.28 Å. In the eighth Ru site, Ru(8) is bonded in a 4-coordinate geometry to one Er(1), one Er(4), one Ru(6), and one Ru(7) atom.