data_Zr2CdP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CdP
_chemical_formula_sum   'Zr2 Cd1 P1'
_cell_volume   84.45
_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
  Zr  Zr2  1  0.04  0.0  0.36  1.0
  Zr  Zr3  1  0.0  0.0  0.07  1.0
  Cd  Cd0  1  0.04  0.0  0.8  1.0
  P  P1  1  0.0  0.0  0.86  1.0

data_Zr2CdP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CdP
_chemical_formula_sum   'Zr2 Cd1 P1'
_cell_volume   84.45
_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
  Zr  Zr0  1  0.0  0.0  0.07  1.0
  Zr  Zr1  1  0.04  0.0  0.36  1.0
  Cd  Cd2  1  0.04  0.0  0.8  1.0
  P  P3  1  0.0  0.0  0.86  1.0

Zr Zr Cd P
Zr2CdP crystallizes in the triclinic P1 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to one Zr(2), four equivalent Zr(1), and one Cd(1) atom. The Zr(1)-Zr(2) bond length is 2.36 Å. All Zr(1)-Zr(1) bond lengths are 3.28 Å. The Zr(1)-Cd(1) bond length is 3.51 Å. In the second Zr site, Zr(2) is bonded in a single-bond geometry to one Zr(1) and one P(1) atom. The Zr(2)-P(1) bond length is 1.66 Å. Cd(1) is bonded in a single-bond geometry to one Zr(1) and one P(1) atom. The Cd(1)-P(1) bond length is 0.54 Å. P(1) is bonded in a distorted linear geometry to one Zr(2) and one Cd(1) atom.