data_ZnReP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnReP4
_chemical_formula_sum   'Zn1 Re1 P4'
_cell_volume   86.27
_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  Zn5  1  0.0  0.0  0.0  1.0
  Re  Re4  1  0.26  0.26  0.26  1.0
  P  P0  1  0.38  0.38  0.63  1.0
  P  P1  1  0.38  0.63  0.38  1.0
  P  P2  1  0.63  0.38  0.38  1.0
  P  P3  1  0.63  0.63  0.63  1.0

data_ZnReP4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   12.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZnReP4
_chemical_formula_sum   'Zn3 Re3 P12'
_cell_volume   258.82
_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  0.0  1.0
  Re  Re1  3  0.0  0.0  0.74  1.0
  P  P2  9  0.08  0.17  0.53  1.0
  P  P3  3  0.0  0.0  0.37  1.0

Zn Re P P P P
Zn Re P P P P 0 5 - - o 0 5 - o - 0 5 o - - 0 4 - o o 0 1 - o o 0 1 o - o 0 1 o o - 0 1 o o o 0 3 o - o 0 2 o o - 1 3 o - o 1 3 o o o 1 4 - o o 1 4 o o o 1 5 - o o 1 5 o - o 1 5 o o - 1 2 o o - 1 2 o o o 2 4 o o o 2 3 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
ReZnP4 crystallizes in the trigonal R3m space group. Re(1) is bonded in a 13-coordinate geometry to four equivalent Zn(1), three equivalent P(2), and six equivalent P(1) atoms. There are three shorter (3.00 Å) and one longer (3.17 Å) Re(1)-Zn(1) bond length. All Re(1)-P(2) bond lengths are 2.90 Å. There are three shorter (2.59 Å) and three longer (2.66 Å) Re(1)-P(1) bond lengths. Zn(1) is bonded in a 10-coordinate geometry to four equivalent Re(1), three equivalent P(1), and three equivalent P(2) atoms. All Zn(1)-P(1) bond lengths are 2.68 Å. All Zn(1)-P(2) bond lengths are 2.89 Å. There are two inequivalent P sites. In the first P site, P(2) is bonded in a 9-coordinate geometry to three equivalent Re(1), three equivalent Zn(1), and three equivalent P(1) atoms. All P(2)-P(1) bond lengths are 2.14 Å. In the second P site, P(1) is bonded in a 6-coordinate geometry to two equivalent Re(1), one Zn(1), one P(2), and two equivalent P(1) atoms. Both P(1)-P(1) bond lengths are 1.24 Å.