data_Li2ZnP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ZnP
_chemical_formula_sum   'Li2 Zn1 P1'
_cell_volume   59.81
_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
  Li  Li0  1  0.0  0.0  0.36  1.0
  Li  Li1  1  0.66  0.66  0.46  1.0
  Zn  Zn3  1  0.66  0.66  0.04  1.0
  P  P2  1  0.0  0.0  0.68  1.0

data_Li2ZnP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2ZnP
_chemical_formula_sum   'Li4 Zn2 P2'
_cell_volume   119.62
_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
  Li  Li0  2  0.0  0.0  0.36  1.0
  Li  Li1  2  0.16  0.5  0.46  1.0
  Zn  Zn2  2  0.16  0.5  0.04  1.0
  P  P3  2  0.0  0.0  0.68  1.0

Li Li Zn P
Li2ZnP crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted single-bond geometry to one Li(2), one Zn(1), and one P(1) atom. The Li(1)-Li(2) bond length is 1.68 Å. The Li(1)-Zn(1) bond length is 2.34 Å. The Li(1)-P(1) bond length is 1.77 Å. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one Li(1), one Zn(1), and three equivalent P(1) atoms. The Li(2)-Zn(1) bond length is 2.26 Å. There is one shorter (2.01 Å) and two longer (2.76 Å) Li(2)-P(1) bond lengths. Zn(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one P(1) atom. The Zn(1)-P(1) bond length is 2.50 Å. P(1) is bonded in a 5-coordinate geometry to one Li(1), three equivalent Li(2), and one Zn(1) atom.