data_HfCoRe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCoRe4
_chemical_formula_sum   'Hf1 Co1 Re4'
_cell_volume   98.59
_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
  Hf  Hf1  1  0.83  0.83  0.83  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.75  0.75  0.59  1.0
  Re  Re3  1  0.75  0.59  0.75  1.0
  Re  Re4  1  0.59  0.75  0.75  1.0
  Re  Re5  1  0.59  0.59  0.59  1.0

data_HfCoRe4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfCoRe4
_chemical_formula_sum   'Hf3 Co3 Re12'
_cell_volume   295.77
_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
  Hf  Hf0  3  0.0  0.0  0.17  1.0
  Co  Co1  3  0.0  0.0  0.0  1.0
  Re  Re2  9  0.1  0.05  0.31  1.0
  Re  Re3  3  0.0  0.0  0.41  1.0

Hf Co Re Re Re Re
HfRe4Co crystallizes in the trigonal R3m space group. Hf(1) is bonded in a 7-coordinate geometry to three equivalent Re(1), three equivalent Re(2), and one Co(1) atom. All Hf(1)-Re(1) bond lengths are 1.85 Å. All Hf(1)-Re(2) bond lengths are 3.20 Å. The Hf(1)-Co(1) bond length is 2.12 Å. There are two inequivalent Re sites. In the first Re site, Re(2) is bonded in a 6-coordinate geometry to three equivalent Hf(1) and three equivalent Re(1) atoms. All Re(2)-Re(1) bond lengths are 1.41 Å. In the second Re site, Re(1) is bonded in a 5-coordinate geometry to one Hf(1), one Re(2), two equivalent Re(1), and one Co(1) atom. Both Re(1)-Re(1) bond lengths are 0.82 Å. The Re(1)-Co(1) bond length is 2.54 Å. Co(1) is bonded in a distorted single-bond geometry to one Hf(1) and three equivalent Re(1) atoms.