data_MgAs2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   3.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAs2Ru
_chemical_formula_sum   'Mg1 As2 Ru1'
_cell_volume   65.59
_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  Mg2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.41  0.21  0.63  1.0
  As  As1  1  0.41  0.79  0.63  1.0
  Ru  Ru3  1  0.82  0.0  0.0  1.0

data_MgAs2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   103.53
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAs2Ru
_chemical_formula_sum   'Mg1 As2 Ru1'
_cell_volume   65.59
_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
  As  As1  1  0.63  0.41  0.21  1.0
  As  As2  1  0.63  0.41  0.79  1.0
  Ru  Ru3  1  -0.0  0.82  0.0  1.0

Mg As As Ru
Mg As As Ru 0 3 - o o 0 1 o o - 1 2 o - o 2 3 o + + 
MgRuAs2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted single-bond geometry to one Ru(1), one As(1), and two equivalent As(2) atoms. The Mg(1)-Ru(1) bond length is 0.84 Å. The Mg(1)-As(1) bond length is 2.24 Å. There is one shorter (2.59 Å) and one longer (3.07 Å) Mg(1)-As(2) bond length. Ru(1) is bonded in a single-bond geometry to one Mg(1) and two equivalent As(2) atoms. There is one shorter (2.24 Å) and one longer (2.78 Å) Ru(1)-As(2) bond length. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 1-coordinate geometry to one Mg(1) and two equivalent As(2) atoms. There is one shorter (1.94 Å) and one longer (2.61 Å) As(1)-As(2) bond length. In the second As site, As(2) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent Ru(1), and two equivalent As(1) atoms.