data_Hf2SnP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2SnP
_chemical_formula_sum   'Hf2 Sn1 P1'
_cell_volume   79.34
_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  Hf0  1  0.01  0.0  0.13  1.0
  Hf  Hf1  1  0.01  0.0  0.63  1.0
  Sn  Sn3  1  0.0  0.0  0.88  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Hf2SnP
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   4.02
_cell_length_b   5.08
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   Hf2SnP
_chemical_formula_sum   'Hf4 Sn2 P2'
_cell_volume   158.67
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  'x+1/2, -y+1/2, 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  Hf0  2  0.0  0.0  0.37  1.0
  Hf  Hf1  2  0.0  0.0  0.87  1.0
  Sn  Sn2  2  0.0  0.0  0.12  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Hf Hf Sn P
Hf Hf Sn P 0 3 o o o 1 2 o o o 2 3 o o + 
Hf2SnP is Cyanogen Chloride-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Hf2SnP cluster. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a single-bond geometry to one P(1) atom. The Hf(1)-P(1) bond length is 1.01 Å. In the second Hf site, Hf(2) is bonded in a single-bond geometry to one Sn(1) atom. The Hf(2)-Sn(1) bond length is 1.93 Å. Sn(1) is bonded in a linear geometry to one Hf(2) and one P(1) atom. The Sn(1)-P(1) bond length is 0.92 Å. P(1) is bonded in a linear geometry to one Hf(1) and one Sn(1) atom.