data_CaZnP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   5.08
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZnP2
_chemical_formula_sum   'Ca1 Zn1 P2'
_cell_volume   77.94
_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
  Ca  Ca0  1  0.76  0.0  0.36  1.0
  Zn  Zn3  1  0.21  0.54  0.04  1.0
  P  P1  1  0.25  0.54  0.57  1.0
  P  P2  1  0.26  0.0  0.81  1.0

data_CaZnP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.08
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZnP2
_chemical_formula_sum   'Ca1 Zn1 P2'
_cell_volume   77.94
_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
  Ca  Ca0  1  0.76  0.0  0.36  1.0
  Zn  Zn1  1  0.21  0.54  0.04  1.0
  P  P2  1  0.25  0.54  0.57  1.0
  P  P3  1  0.26  0.0  0.81  1.0

Ca Zn P P
CaZnP2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 14-coordinate geometry to two equivalent Ca(1), four equivalent Zn(1), four equivalent P(1), and four equivalent P(2) atoms. Both Ca(1)-Ca(1) bond lengths are 3.00 Å. There are a spread of Ca(1)-Zn(1) bond distances ranging from 3.17-3.59 Å. There are a spread of Ca(1)-P(1) bond distances ranging from 2.97-3.31 Å. There are a spread of Ca(1)-P(2) bond distances ranging from 2.72-3.22 Å. Zn(1) is bonded in a 3-coordinate geometry to four equivalent Ca(1), two equivalent P(1), and two equivalent P(2) atoms. There is one shorter (2.40 Å) and one longer (2.72 Å) Zn(1)-P(1) bond length. There is one shorter (2.63 Å) and one longer (2.99 Å) Zn(1)-P(2) bond length. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 7-coordinate geometry to four equivalent Ca(1), two equivalent Zn(1), and one P(2) atom. The P(1)-P(2) bond length is 2.63 Å. In the second P site, P(2) is bonded in a 7-coordinate geometry to four equivalent Ca(1), two equivalent Zn(1), and one P(1) atom.