data_ZnCoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   3.85
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCoP
_chemical_formula_sum   'Zn1 Co1 P1'
_cell_volume   40.46
_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
  Zn  Zn2  1  0.36  0.36  0.36  1.0
  Co  Co0  1  0.09  0.09  0.09  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_ZnCoP
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   9.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZnCoP
_chemical_formula_sum   'Zn3 Co3 P3'
_cell_volume   121.39
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.64  1.0
  Co  Co1  3  0.0  0.0  0.91  1.0
  P  P2  3  0.0  0.0  -0.0  1.0

Zn Co P
Zn Co P 0 1 o o o 0 1 o o + 0 1 o + o 0 1 + o o 0 2 o o + 0 2 o + o 0 2 + o o 1 2 o o o 
CoZnP crystallizes in the trigonal R3m space group. Co(1) is bonded in a single-bond geometry to four equivalent Zn(1) and one P(1) atom. There are three shorter (2.29 Å) and one longer (2.60 Å) Co(1)-Zn(1) bond length. The Co(1)-P(1) bond length is 0.82 Å. Zn(1) is bonded to four equivalent Co(1) and three equivalent P(1) atoms to form a mixture of edge and corner-sharing ZnCo4P3 hexagonal pyramids. All Zn(1)-P(1) bond lengths are 2.24 Å. P(1) is bonded in a single-bond geometry to one Co(1) and three equivalent Zn(1) atoms.