data_Hf2ZnP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ZnP
_chemical_formula_sum   'Hf2 Zn1 P1'
_cell_volume   69.81
_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  0.68  0.68  0.75  1.0
  Hf  Hf1  1  0.68  0.68  0.46  1.0
  Zn  Zn3  1  0.0  0.0  0.1  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Hf2ZnP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2ZnP
_chemical_formula_sum   'Hf4 Zn2 P2'
_cell_volume   139.61
_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+1/2, y+1/2, z'
  4  '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  0.18  0.5  0.46  1.0
  Hf  Hf1  2  0.18  0.5  0.75  1.0
  Zn  Zn2  2  0.0  0.0  0.1  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Hf Hf Zn P
Hf Hf Zn P 0 1 o o o 2 3 o o o 
Hf2ZnP crystallizes in the monoclinic Cm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a distorted single-bond geometry to one Hf(2) and three equivalent P(1) atoms. The Hf(1)-Hf(2) bond length is 1.79 Å. There is one shorter (2.19 Å) and two longer (2.96 Å) Hf(1)-P(1) bond lengths. In the second Hf site, Hf(2) is bonded in a distorted bent 150 degrees geometry to one Hf(1) and one Zn(1) atom. The Hf(2)-Zn(1) bond length is 2.69 Å. Zn(1) is bonded in a single-bond geometry to one Hf(2) and one P(1) atom. The Zn(1)-P(1) bond length is 0.65 Å. P(1) is bonded in a distorted single-bond geometry to three equivalent Hf(1) and one Zn(1) atom.