data_VPIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   4.02
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPIr
_chemical_formula_sum   'V1 P1 Ir1'
_cell_volume   45.82
_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
  V  V2  1  0.42  0.42  0.42  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.84  0.84  0.84  1.0

data_VPIr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   9.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VPIr
_chemical_formula_sum   'V3 P3 Ir3'
_cell_volume   137.47
_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
  V  V0  3  0.0  0.0  0.58  1.0
  P  P1  3  0.0  0.0  0.0  1.0
  Ir  Ir2  3  0.0  0.0  0.16  1.0

V P Ir
V P Ir 0 1 o o + 0 1 o + o 0 1 + o o 0 2 - o o 0 2 o - o 0 2 o o - 1 2 - - - 
VIrP crystallizes in the trigonal R3m space group. V(1) is bonded in a 6-coordinate geometry to three equivalent Ir(1) and three equivalent P(1) atoms. All V(1)-Ir(1) bond lengths are 2.47 Å. All V(1)-P(1) bond lengths are 2.47 Å. Ir(1) is bonded to three equivalent V(1) and one P(1) atom to form IrV3P tetrahedra that share corners with three equivalent P(1)V3Ir tetrahedra, corners with six equivalent Ir(1)V3P tetrahedra, and edges with three equivalent P(1)V3Ir tetrahedra. The Ir(1)-P(1) bond length is 1.57 Å. P(1) is bonded to three equivalent V(1) and one Ir(1) atom to form PV3Ir tetrahedra that share corners with three equivalent Ir(1)V3P tetrahedra, corners with six equivalent P(1)V3Ir tetrahedra, and edges with three equivalent Ir(1)V3P tetrahedra.