data_KP4Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KP4Ru
_chemical_formula_sum   'K1 P4 Ru1'
_cell_volume   100.92
_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
  K  K0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.62  0.62  0.77  1.0
  P  P2  1  0.62  0.77  0.62  1.0
  P  P3  1  0.77  0.62  0.62  1.0
  P  P4  1  0.77  0.77  0.77  1.0
  Ru  Ru5  1  0.54  0.54  0.54  1.0

data_KP4Ru
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   12.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KP4Ru
_chemical_formula_sum   'K3 P12 Ru3'
_cell_volume   302.75
_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
  K  K0  3  0.0  0.0  0.0  1.0
  P  P1  9  0.05  0.1  0.33  1.0
  P  P2  3  0.0  0.0  0.23  1.0
  Ru  Ru3  3  0.0  0.0  0.46  1.0

K P P P P Ru
KRuP4 crystallizes in the trigonal R3m space group. K(1) is bonded in a 7-coordinate geometry to one P(2) and six equivalent P(1) atoms. The K(1)-P(2) bond length is 2.92 Å. All K(1)-P(1) bond lengths are 2.81 Å. Ru(1) is bonded in a 3-coordinate geometry to three equivalent P(1) atoms. All Ru(1)-P(1) bond lengths are 1.69 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 2-coordinate geometry to two equivalent K(1), one Ru(1), one P(2), and two equivalent P(1) atoms. The P(1)-P(2) bond length is 1.39 Å. Both P(1)-P(1) bond lengths are 0.80 Å. In the second P site, P(2) is bonded in a 4-coordinate geometry to one K(1) and three equivalent P(1) atoms.