data_CrRe4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRe4Ni
_chemical_formula_sum   'Cr1 Re4 Ni1'
_cell_volume   93.19
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.7  0.7  0.49  1.0
  Re  Re3  1  0.49  0.49  0.49  1.0
  Re  Re4  1  0.7  0.49  0.7  1.0
  Re  Re5  1  0.49  0.7  0.7  1.0
  Ni  Ni1  1  0.8  0.8  0.8  1.0

data_CrRe4Ni
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   12.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CrRe4Ni
_chemical_formula_sum   'Cr3 Re12 Ni3'
_cell_volume   279.58
_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
  Cr  Cr0  3  0.0  0.0  0.0  1.0
  Re  Re1  9  0.14  0.07  0.37  1.0
  Re  Re2  3  0.0  0.0  0.51  1.0
  Ni  Ni3  3  0.0  0.0  0.2  1.0

Cr Re Re Re Re Ni
CrRe4Ni crystallizes in the trigonal R3m space group. Cr(1) is bonded to three equivalent Re(1), three equivalent Re(2), and one Ni(1) atom to form distorted corner-sharing CrRe6Ni trigonal pyramids. All Cr(1)-Re(1) bond lengths are 2.35 Å. All Cr(1)-Re(2) bond lengths are 3.55 Å. The Cr(1)-Ni(1) bond length is 2.50 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 3-coordinate geometry to one Cr(1), one Re(2), and two equivalent Re(1) atoms. The Re(1)-Re(2) bond length is 1.86 Å. Both Re(1)-Re(1) bond lengths are 1.08 Å. In the second Re site, Re(2) is bonded in a 9-coordinate geometry to three equivalent Cr(1), three equivalent Re(1), and three equivalent Ni(1) atoms. All Re(2)-Ni(1) bond lengths are 2.96 Å. Ni(1) is bonded in a 1-coordinate geometry to one Cr(1) and three equivalent Re(2) atoms.