data_CaGaRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   148.14
_cell_angle_beta   131.66
_cell_angle_gamma   59.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGaRu2
_chemical_formula_sum   'Ca1 Ga1 Ru2'
_cell_volume   67.32
_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
  Ca  Ca0  1  0.0  0.0  0.79  1.0
  Ga  Ga1  1  0.0  0.28  0.67  1.0
  Ru  Ru2  1  0.0  0.0  0.02  1.0
  Ru  Ru3  1  0.53  0.0  0.2  1.0

data_CaGaRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.55
_cell_length_c   5.56
_cell_angle_alpha   114.17
_cell_angle_beta   105.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGaRu2
_chemical_formula_sum   'Ca1 Ga1 Ru2'
_cell_volume   67.32
_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
  Ca  Ca0  1  0.0  0.79  0.79  1.0
  Ga  Ga1  1  0.72  0.39  0.39  1.0
  Ru  Ru2  1  0.0  0.02  0.02  1.0
  Ru  Ru3  1  0.0  0.2  0.67  1.0

Ca Ga Ru Ru
Ca Ga Ru Ru 0 2 o o + 0 1 o o o 0 3 o o + 0 3 - o o 1 3 - o o 1 2 o + + 1 2 o o o 2 3 o o o 
CaRu2Ga crystallizes in the triclinic P1 space group. Ca(1) is bonded in a distorted single-bond geometry to one Ru(1), two equivalent Ru(2), and one Ga(1) atom. The Ca(1)-Ru(1) bond length is 1.30 Å. There is one shorter (2.21 Å) and one longer (2.51 Å) Ca(1)-Ru(2) bond length. The Ca(1)-Ga(1) bond length is 2.16 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a single-bond geometry to one Ca(1) and two equivalent Ga(1) atoms. There is one shorter (2.40 Å) and one longer (2.55 Å) Ru(1)-Ga(1) bond length. In the second Ru site, Ru(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Ga(1) atom. The Ru(2)-Ga(1) bond length is 2.08 Å. Ga(1) is bonded in a 4-coordinate geometry to one Ca(1), one Ru(2), and two equivalent Ru(1) atoms.