data_MgRuW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRuW2
_chemical_formula_sum   'Mg1 Ru1 W2'
_cell_volume   64.96
_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  0.32  1.0
  Ru  Ru1  1  0.58  0.58  0.99  1.0
  W  W2  1  0.0  0.0  0.46  1.0
  W  W3  1  0.58  0.58  0.49  1.0

data_MgRuW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgRuW2
_chemical_formula_sum   'Mg2 Ru2 W4'
_cell_volume   129.93
_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
  Mg  Mg0  2  0.0  0.0  0.32  1.0
  Ru  Ru1  2  0.08  0.5  0.99  1.0
  W  W2  2  0.0  0.0  0.46  1.0
  W  W3  2  0.08  0.5  0.49  1.0

Mg Ru W W
Mg Ru W W 0 2 o o o 0 1 o o - 0 1 o - - 0 1 - o - 0 1 - - - 0 3 - - o 1 1 + o o 1 1 o + o 1 3 o o o 1 3 o o + 1 2 + + + 2 3 o - o 2 3 - o o 2 3 - - o 
MgW2Ru crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a single-bond geometry to one W(1), four equivalent W(2), and four equivalent Ru(1) atoms. The Mg(1)-W(1) bond length is 0.92 Å. There are a spread of Mg(1)-W(2) bond distances ranging from 2.20-2.83 Å. There are a spread of Mg(1)-Ru(1) bond distances ranging from 2.83-3.34 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a single-bond geometry to one Mg(1) and four equivalent W(2) atoms. There are a spread of W(1)-W(2) bond distances ranging from 1.89-2.60 Å. In the second W site, W(2) is bonded in a 9-coordinate geometry to four equivalent Mg(1), four equivalent W(1), and two equivalent Ru(1) atoms. Both W(2)-Ru(1) bond lengths are 3.25 Å. Ru(1) is bonded in a 10-coordinate geometry to four equivalent Mg(1), two equivalent W(2), and four equivalent Ru(1) atoms. All Ru(1)-Ru(1) bond lengths are 3.16 Å.