data_ErTcRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErTcRu2
_chemical_formula_sum   'Er1 Tc1 Ru2'
_cell_volume   65.74
_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  0.2  0.2  0.2  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.6  0.6  0.6  1.0
  Ru  Ru2  1  0.81  0.81  0.81  1.0

data_ErTcRu2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   11.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ErTcRu2
_chemical_formula_sum   'Er3 Tc3 Ru6'
_cell_volume   197.23
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.8  1.0
  Tc  Tc1  3  0.0  0.0  0.0  1.0
  Ru  Ru2  3  0.0  0.0  0.19  1.0
  Ru  Ru3  3  0.0  0.0  0.4  1.0

Er Tc Ru Ru
Er Tc Ru Ru 0 1 o o o 0 1 o o + 0 1 + o o 0 1 o + o 0 3 - - o 0 3 - o - 0 3 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 3 - - - 1 2 - - o 1 2 - o - 1 2 o - - 2 3 o - o 2 3 - o o 2 3 o o - 2 3 o o o 
ErTcRu2 crystallizes in the trigonal R3m space group. Er(1) is bonded in a 10-coordinate geometry to four equivalent Tc(1), three equivalent Ru(1), and three equivalent Ru(2) atoms. There is one shorter (2.26 Å) and three longer (2.99 Å) Er(1)-Tc(1) bond lengths. All Er(1)-Ru(1) bond lengths are 2.71 Å. All Er(1)-Ru(2) bond lengths are 2.71 Å. Tc(1) is bonded in a distorted linear geometry to four equivalent Er(1), one Ru(2), and three equivalent Ru(1) atoms. The Tc(1)-Ru(2) bond length is 2.16 Å. All Tc(1)-Ru(1) bond lengths are 2.71 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 7-coordinate geometry to three equivalent Er(1), three equivalent Tc(1), and one Ru(2) atom. The Ru(1)-Ru(2) bond length is 2.26 Å. In the second Ru site, Ru(2) is bonded in a 5-coordinate geometry to three equivalent Er(1), one Tc(1), and one Ru(1) atom.