data_LaGe3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   136.37
_cell_angle_beta   136.37
_cell_angle_gamma   63.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGe3Ru
_chemical_formula_sum   'La1 Ge3 Ru1'
_cell_volume   101.16
_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
  La  La0  1  0.0  0.0  0.2  1.0
  Ge  Ge1  1  0.0  0.0  0.32  1.0
  Ge  Ge2  1  0.23  0.0  0.65  1.0
  Ge  Ge3  1  0.0  0.23  0.65  1.0
  Ru  Ru4  1  0.0  0.0  0.71  1.0

data_LaGe3Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   121.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaGe3Ru
_chemical_formula_sum   'La2 Ge6 Ru2'
_cell_volume   202.32
_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
  La  La0  2  0.0  0.0  0.2  1.0
  Ge  Ge1  4  0.39  0.39  0.42  1.0
  Ge  Ge2  2  0.0  0.0  0.32  1.0
  Ru  Ru3  2  0.0  0.0  0.71  1.0

La Ge Ge Ge Ru
LaRuGe3 crystallizes in the monoclinic Cm space group. La(1) is bonded in a single-bond geometry to one Ru(1), one Ge(1), and two equivalent Ge(2) atoms. The La(1)-Ru(1) bond length is 2.92 Å. The La(1)-Ge(1) bond length is 0.73 Å. Both La(1)-Ge(2) bond lengths are 3.20 Å. Ru(1) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Ge(2) atoms. Both Ru(1)-Ge(2) bond lengths are 1.65 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a single-bond geometry to one La(1) and two equivalent Ge(2) atoms. Both Ge(1)-Ge(2) bond lengths are 1.36 Å. In the second Ge site, Ge(2) is bonded in a 4-coordinate geometry to one La(1), one Ru(1), one Ge(1), and one Ge(2) atom. The Ge(2)-Ge(2) bond length is 1.43 Å.