data_HfScCoRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScCoRe
_chemical_formula_sum   'Hf1 Sc1 Co1 Re1'
_cell_volume   65.99
_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  0.21  0.21  0.21  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.81  0.81  0.81  1.0
  Re  Re2  1  0.6  0.6  0.6  1.0

data_HfScCoRe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   11.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfScCoRe
_chemical_formula_sum   'Hf3 Sc3 Co3 Re3'
_cell_volume   197.98
_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  0.79  1.0
  Sc  Sc1  3  0.0  0.0  0.0  1.0
  Co  Co2  3  0.0  0.0  0.19  1.0
  Re  Re3  3  0.0  0.0  0.4  1.0

Hf Sc Co Re
Hf Sc Co Re 0 1 o o o 0 1 o o + 0 1 + o o 0 1 o + o 0 2 - - o 0 2 - o - 0 2 o - - 0 3 - o o 0 3 o - o 0 3 o o - 1 2 - - - 1 3 o - - 1 3 - o - 1 3 - - o 2 3 o o o 2 3 o + o 2 3 + o o 2 3 o o + 
ScHfReCo crystallizes in the trigonal R3m space group. Sc(1) is bonded in a 1-coordinate geometry to one Hf(1), three equivalent Re(1), and one Co(1) atom. The Sc(1)-Hf(1) bond length is 2.30 Å. All Sc(1)-Re(1) bond lengths are 2.71 Å. The Sc(1)-Co(1) bond length is 2.10 Å. Hf(1) is bonded in a 7-coordinate geometry to one Sc(1), three equivalent Re(1), and three equivalent Co(1) atoms. All Hf(1)-Re(1) bond lengths are 2.71 Å. All Hf(1)-Co(1) bond lengths are 2.71 Å. Re(1) is bonded in a 7-coordinate geometry to three equivalent Sc(1), three equivalent Hf(1), and one Co(1) atom. The Re(1)-Co(1) bond length is 2.30 Å. Co(1) is bonded in a distorted single-bond geometry to one Sc(1), three equivalent Hf(1), and one Re(1) atom.