data_CaMgRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMgRu2
_chemical_formula_sum   'Ca1 Mg1 Ru2'
_cell_volume   71.09
_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  0.28  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.44  0.44  0.96  1.0
  Ru  Ru3  1  0.44  0.44  0.6  1.0

data_CaMgRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaMgRu2
_chemical_formula_sum   'Ca2 Mg2 Ru4'
_cell_volume   142.19
_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
  Ca  Ca0  2  0.0  0.0  0.28  1.0
  Mg  Mg1  2  0.0  0.0  0.0  1.0
  Ru  Ru2  2  0.44  0.0  0.6  1.0
  Ru  Ru3  2  0.44  0.0  0.96  1.0

Ca Mg Ru Ru
Ca Mg Ru Ru 0 0 + o o 0 0 o + o 0 1 o o o 0 2 o o - 0 3 o o o 0 3 o - o 0 3 - o o 1 2 - - - 1 2 - o - 1 2 o - - 1 2 o o - 2 3 o o o 3 3 + o o 3 3 o + o 
CaMgRu2 crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a 1-coordinate geometry to one Mg(1) and four equivalent Ru(2) atoms. The Ca(1)-Mg(1) bond length is 2.40 Å. There are a spread of Ca(1)-Ru(2) bond distances ranging from 3.28-3.57 Å. Mg(1) is bonded in a 5-coordinate geometry to one Ca(1) and four equivalent Ru(1) atoms. There are a spread of Mg(1)-Ru(1) bond distances ranging from 1.83-2.30 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 4-coordinate geometry to four equivalent Mg(1) and one Ru(2) atom. The Ru(1)-Ru(2) bond length is 3.07 Å. In the second Ru site, Ru(2) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Ru(1), and four equivalent Ru(2) atoms. All Ru(2)-Ru(2) bond lengths are 2.88 Å.