data_ZrGa2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   121.68
_cell_angle_beta   121.68
_cell_angle_gamma   87.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGa2Ru
_chemical_formula_sum   'Zr1 Ga2 Ru1'
_cell_volume   65.23
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.22  0.0  0.65  1.0
  Ga  Ga1  1  0.0  0.22  0.65  1.0
  Ru  Ru2  1  0.0  0.0  0.3  1.0

data_ZrGa2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   133.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrGa2Ru
_chemical_formula_sum   'Zr2 Ga4 Ru2'
_cell_volume   130.47
_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
  Zr  Zr0  2  0.0  0.0  0.0  1.0
  Ga  Ga1  4  0.39  0.39  0.43  1.0
  Ru  Ru2  2  0.0  0.0  0.3  1.0

Zr Ga Ga Ru
Zr Ga Ga Ru 0 3 o o o 1 3 o o o 1 2 o o o 2 3 o o o 
ZrRuGa2 is Copper structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ZrRuGa2 clusters. Zr(1) is bonded in a distorted single-bond geometry to one Ru(1) atom. The Zr(1)-Ru(1) bond length is 1.39 Å. Ru(1) is bonded in a 3-coordinate geometry to one Zr(1) and two equivalent Ga(1) atoms. Both Ru(1)-Ga(1) bond lengths are 1.36 Å. Ga(1) is bonded in a 1-coordinate geometry to one Ru(1) atom.