data_MgPRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   4.13
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPRu
_chemical_formula_sum   'Mg1 P1 Ru1'
_cell_volume   49.86
_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
  P  P1  1  0.38  0.38  0.38  1.0
  Ru  Ru2  1  0.46  0.46  0.46  1.0

data_MgPRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   10.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgPRu
_chemical_formula_sum   'Mg3 P3 Ru3'
_cell_volume   149.59
_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
  Mg  Mg0  3  0.0  0.0  0.0  1.0
  P  P1  3  0.0  0.0  0.62  1.0
  Ru  Ru2  3  0.0  0.0  0.54  1.0

Mg P Ru
Mg P Ru 0 2 - o o 0 2 o - o 0 2 o o - 0 1 - o o 0 1 o - o 0 1 o o - 1 2 o o o 
MgRuP crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 9-coordinate geometry to six equivalent Ru(1) and three equivalent P(1) atoms. There are three shorter (2.71 Å) and three longer (3.17 Å) Mg(1)-Ru(1) bond lengths. All Mg(1)-P(1) bond lengths are 2.44 Å. Ru(1) is bonded in a single-bond geometry to six equivalent Mg(1) and one P(1) atom. The Ru(1)-P(1) bond length is 0.80 Å. P(1) is bonded to three equivalent Mg(1) and one Ru(1) atom to form distorted corner-sharing PMg3Ru tetrahedra.