data_Y3PRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3PRu
_chemical_formula_sum   'Y3 P1 Ru1'
_cell_volume   143.8
_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
  Y  Y0  1  0.62  0.0  0.62  1.0
  Y  Y1  1  0.62  0.62  0.0  1.0
  Y  Y2  1  0.0  0.62  0.62  1.0
  P  P4  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.62  0.62  0.62  1.0

data_Y3PRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.41
_cell_length_b   7.41
_cell_length_c   9.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y3PRu
_chemical_formula_sum   'Y9 P3 Ru3'
_cell_volume   431.39
_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
  Y  Y0  9  0.21  0.79  0.41  1.0
  P  P1  3  0.0  0.0  0.0  1.0
  Ru  Ru2  3  0.0  0.0  0.62  1.0

Y Y Y P Ru
Y Y Y P Ru 0 4 o - o 0 3 + o + 1 4 o o - 1 3 + + o 2 4 - o o 2 3 o + + 
Y3RuP is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three Y3RuP clusters. Y(1) is bonded in a distorted single-bond geometry to one Ru(1) and one P(1) atom. The Y(1)-Ru(1) bond length is 1.99 Å. The Y(1)-P(1) bond length is 2.82 Å. Ru(1) is bonded in a distorted octahedral geometry to three equivalent Y(1) atoms. P(1) is bonded in a 3-coordinate geometry to three equivalent Y(1) atoms.