data_CuSb2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSb2Ru
_chemical_formula_sum   'Cu1 Sb2 Ru1'
_cell_volume   75.01
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.61  0.61  0.32  1.0
  Sb  Sb3  1  0.61  0.61  0.92  1.0
  Ru  Ru1  1  0.0  0.0  0.62  1.0

data_CuSb2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuSb2Ru
_chemical_formula_sum   'Cu2 Sb4 Ru2'
_cell_volume   150.02
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cu  Cu0  2  0.0  0.0  0.0  1.0
  Sb  Sb1  2  0.11  0.5  0.32  1.0
  Sb  Sb2  2  0.11  0.5  0.92  1.0
  Ru  Ru3  2  0.0  0.0  0.62  1.0

Cu Sb Sb Ru
Cu Sb Sb Ru 0 2 - - - 0 1 o o o 0 1 o - o 0 1 - o o 0 1 - - o 0 3 o o - 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 1 + o o 1 1 o + o 1 2 o o - 2 3 + + o 2 3 + o o 2 3 o + o 2 3 o o o 3 3 + o o 3 3 o + o 
RuCuSb2 crystallizes in the monoclinic Cm space group. Ru(1) is bonded in a 13-coordinate geometry to four equivalent Ru(1), one Cu(1), four equivalent Sb(1), and four equivalent Sb(2) atoms. All Ru(1)-Ru(1) bond lengths are 3.22 Å. The Ru(1)-Cu(1) bond length is 2.75 Å. There are a spread of Ru(1)-Sb(1) bond distances ranging from 2.80-3.52 Å. There are a spread of Ru(1)-Sb(2) bond distances ranging from 2.80-3.52 Å. Cu(1) is bonded in a 1-coordinate geometry to one Ru(1), one Sb(2), and three equivalent Sb(1) atoms. The Cu(1)-Sb(2) bond length is 1.87 Å. There is one shorter (2.93 Å) and two longer (3.29 Å) Cu(1)-Sb(1) bond lengths. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 12-coordinate geometry to four equivalent Ru(1), three equivalent Cu(1), one Sb(2), and four equivalent Sb(1) atoms. The Sb(1)-Sb(2) bond length is 2.92 Å. All Sb(1)-Sb(1) bond lengths are 3.22 Å. In the second Sb site, Sb(2) is bonded in a 1-coordinate geometry to four equivalent Ru(1), one Cu(1), and one Sb(1) atom.