data_ZnCr4Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr4Re
_chemical_formula_sum   'Zn1 Cr4 Re1'
_cell_volume   75.67
_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
  Cr  Cr0  1  0.2  0.2  0.51  1.0
  Cr  Cr1  1  0.2  0.51  0.2  1.0
  Cr  Cr2  1  0.51  0.2  0.2  1.0
  Cr  Cr3  1  0.51  0.51  0.51  1.0
  Re  Re4  1  0.04  0.04  0.04  1.0

data_ZnCr4Re
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   11.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZnCr4Re
_chemical_formula_sum   'Zn3 Cr12 Re3'
_cell_volume   227.01
_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
  Cr  Cr1  9  0.11  0.21  0.7  1.0
  Cr  Cr2  3  0.0  0.0  0.49  1.0
  Re  Re3  3  0.0  0.0  0.96  1.0

Zn Cr Cr Cr Cr Re
Zn Cr Cr Cr Cr Re 0 5 o o o 0 4 o - - 0 4 - o - 0 4 - - o 1 3 o o o 1 2 o o o 1 4 o o o 1 4 o - o 1 4 - o o 2 3 o o o 2 4 o o o 2 4 o o - 2 4 - o o 3 4 o o o 3 4 o o - 3 4 o - o 4 5 o o + 4 5 o + o 4 5 + o o 
Cr4ReZn crystallizes in the trigonal R3m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 3-coordinate geometry to two equivalent Cr(1), three equivalent Cr(2), and one Zn(1) atom. Both Cr(1)-Cr(1) bond lengths are 1.50 Å. There is one shorter (2.60 Å) and two longer (2.82 Å) Cr(1)-Cr(2) bond lengths. The Cr(1)-Zn(1) bond length is 1.91 Å. In the second Cr site, Cr(2) is bonded in a 12-coordinate geometry to nine equivalent Cr(1) and three equivalent Re(1) atoms. All Cr(2)-Re(1) bond lengths are 3.22 Å. Re(1) is bonded in a single-bond geometry to three equivalent Cr(2) and one Zn(1) atom. The Re(1)-Zn(1) bond length is 0.41 Å. Zn(1) is bonded in a single-bond geometry to three equivalent Cr(1) and one Re(1) atom.