data_CsMg2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsMg2Ru
_chemical_formula_sum   'Cs1 Mg2 Ru1'
_cell_volume   99.45
_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
  Cs  Cs0  1  0.68  0.68  0.68  1.0
  Mg  Mg1  1  0.84  0.84  0.84  1.0
  Mg  Mg2  1  0.52  0.52  0.52  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_CsMg2Ru
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CsMg2Ru
_chemical_formula_sum   'Cs3 Mg6 Ru3'
_cell_volume   298.34
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Cs  Cs0  3  0.0  0.0  0.32  1.0
  Mg  Mg1  3  0.0  0.0  0.16  1.0
  Mg  Mg2  3  0.0  0.0  0.48  1.0
  Ru  Ru3  3  0.0  0.0  0.0  1.0

Cs Mg Mg Ru
CsMg2Ru crystallizes in the trigonal R3m space group. Cs(1) is bonded to one Mg(1), one Mg(2), and three equivalent Ru(1) atoms to form distorted CsMg2Ru3 trigonal bipyramids that share corners with six equivalent Cs(1)Mg2Ru3 trigonal bipyramids and  a cornercorner with one Ru(1)Cs3Mg trigonal pyramid. The Cs(1)-Mg(1) bond length is 2.06 Å. The Cs(1)-Mg(2) bond length is 2.06 Å. All Cs(1)-Ru(1) bond lengths are 3.01 Å. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a linear geometry to one Cs(1) and one Ru(1) atom. The Mg(1)-Ru(1) bond length is 2.06 Å. In the second Mg site, Mg(2) is bonded in a single-bond geometry to one Cs(1) atom. Ru(1) is bonded to three equivalent Cs(1) and one Mg(1) atom to form RuCs3Mg trigonal pyramids that share  a cornercorner with one Cs(1)Mg2Ru3 trigonal bipyramid and corners with six equivalent Ru(1)Cs3Mg trigonal pyramids.