data_MgRu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   149.2
_cell_angle_beta   130.13
_cell_angle_gamma   59.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRu2Cl
_chemical_formula_sum   'Mg1 Ru2 Cl1'
_cell_volume   61.66
_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
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.28  0.1  1.0
  Ru  Ru3  1  0.44  0.0  0.6  1.0
  Cl  Cl0  1  0.0  0.0  0.7  1.0

data_MgRu2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.57
_cell_length_c   5.42
_cell_angle_alpha   114.94
_cell_angle_beta   105.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRu2Cl
_chemical_formula_sum   'Mg1 Ru2 Cl1'
_cell_volume   61.66
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.6  0.16  1.0
  Ru  Ru2  1  0.72  0.81  0.81  1.0
  Cl  Cl3  1  0.0  0.7  0.7  1.0

Mg Ru Ru Cl
Mg Ru Ru Cl 0 1 o o o 0 2 o o o 0 2 - o - 1 3 o o - 1 2 - o - 2 2 o + + 2 3 o o o 2 3 + o o 
MgRu2Cl crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted single-bond geometry to one Ru(1) and two equivalent Ru(2) atoms. The Mg(1)-Ru(1) bond length is 1.12 Å. There is one shorter (2.34 Å) and one longer (2.50 Å) Mg(1)-Ru(2) bond length. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Cl(1) atoms. There is one shorter (1.16 Å) and one longer (1.99 Å) Ru(1)-Cl(1) bond length. In the second Ru site, Ru(2) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one Cl(1) atom. The Ru(2)-Cl(1) bond length is 2.73 Å. Cl(1) is bonded in a 1-coordinate geometry to one Ru(2) and two equivalent Ru(1) atoms.