data_Zn2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2P
_chemical_formula_sum   'Zn4 P2'
_cell_volume   94.79
_cell_formula_units_Z   2
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
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.55  1.0
  Zn  Zn4  1  0.32  0.34  0.28  1.0
  Zn  Zn5  1  0.0  0.67  0.83  1.0
  P  P0  1  0.0  0.67  0.28  1.0
  P  P1  1  0.32  0.34  0.83  1.0

data_Zn2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2P
_chemical_formula_sum   'Zn4 P2'
_cell_volume   94.79
_cell_formula_units_Z   2
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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.0  0.55  1.0
  Zn  Zn2  1  0.0  0.67  0.83  1.0
  Zn  Zn3  1  0.32  0.34  0.28  1.0
  P  P4  1  0.0  0.67  0.28  1.0
  P  P5  1  0.32  0.34  0.83  1.0

Zn Zn Zn Zn P P
Zn2P crystallizes in the triclinic P1 space group. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 2-coordinate geometry to one Zn(3), one Zn(4), one P(1), and one P(2) atom. The Zn(1)-Zn(3) bond length is 2.07 Å. The Zn(1)-Zn(4) bond length is 1.75 Å. The Zn(1)-P(1) bond length is 2.06 Å. The Zn(1)-P(2) bond length is 1.75 Å. In the second Zn site, Zn(2) is bonded in a 2-coordinate geometry to one Zn(3), one Zn(4), one P(1), and one P(2) atom. The Zn(2)-Zn(3) bond length is 2.07 Å. The Zn(2)-Zn(4) bond length is 2.06 Å. The Zn(2)-P(1) bond length is 2.06 Å. The Zn(2)-P(2) bond length is 2.07 Å. In the third Zn site, Zn(3) is bonded in a 7-coordinate geometry to one Zn(1), one Zn(2), two equivalent P(2), and three equivalent P(1) atoms. There is one shorter (2.29 Å) and one longer (2.81 Å) Zn(3)-P(2) bond length. There are a spread of Zn(3)-P(1) bond distances ranging from 2.62-2.74 Å. In the fourth Zn site, Zn(4) is bonded in a 6-coordinate geometry to one Zn(1), one Zn(2), two equivalent P(1), and two equivalent P(2) atoms. There is one shorter (2.29 Å) and one longer (2.81 Å) Zn(4)-P(1) bond length. There is one shorter (2.62 Å) and one longer (2.74 Å) Zn(4)-P(2) bond length. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 5-coordinate geometry to one Zn(1), one Zn(2), two equivalent Zn(4), and three equivalent Zn(3) atoms. In the second P site, P(2) is bonded in a 1-coordinate geometry to one Zn(1), one Zn(2), two equivalent Zn(3), and two equivalent Zn(4) atoms.