data_HfAgP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAgP
_chemical_formula_sum   'Hf1 Ag1 P1'
_cell_volume   62.66
_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
  Hf  Hf1  1  0.58  0.58  0.58  1.0
  Ag  Ag0  1  0.15  0.15  0.15  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_HfAgP
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   10.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfAgP
_chemical_formula_sum   'Hf3 Ag3 P3'
_cell_volume   187.98
_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
  Hf  Hf0  3  0.0  0.0  0.42  1.0
  Ag  Ag1  3  0.0  0.0  0.85  1.0
  P  P2  3  0.0  0.0  0.0  1.0

Hf Ag P
HfAgP crystallizes in the trigonal R3m space group. Hf(1) is bonded in a 6-coordinate geometry to three equivalent Ag(1) and three equivalent P(1) atoms. All Hf(1)-Ag(1) bond lengths are 2.76 Å. All Hf(1)-P(1) bond lengths are 2.76 Å. Ag(1) is bonded to three equivalent Hf(1) and one P(1) atom to form distorted AgHf3P tetrahedra that share corners with three equivalent P(1)Hf3Ag tetrahedra, corners with six equivalent Ag(1)Hf3P tetrahedra, and edges with three equivalent P(1)Hf3Ag tetrahedra. The Ag(1)-P(1) bond length is 1.67 Å. P(1) is bonded to three equivalent Hf(1) and one Ag(1) atom to form distorted PHf3Ag tetrahedra that share corners with three equivalent Ag(1)Hf3P tetrahedra, corners with six equivalent P(1)Hf3Ag tetrahedra, and edges with three equivalent Ag(1)Hf3P tetrahedra.