data_FeCoRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   3.87
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoRe
_chemical_formula_sum   'Fe1 Co1 Re1'
_cell_volume   41.09
_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
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.37  0.37  0.37  1.0
  Re  Re2  1  0.74  0.74  0.74  1.0

data_FeCoRe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   FeCoRe
_chemical_formula_sum   'Fe3 Co3 Re3'
_cell_volume   123.28
_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
  Fe  Fe0  3  0.0  0.0  0.0  1.0
  Co  Co1  3  0.0  0.0  0.63  1.0
  Re  Re2  3  0.0  0.0  0.26  1.0

Fe Co Re
ReFeCo crystallizes in the trigonal R3m space group. Re(1) is bonded to four equivalent Fe(1) and three equivalent Co(1) atoms to form distorted ReFe4Co3 hexagonal pyramids that share corners with three equivalent Fe(1)Co3Re4 hexagonal pyramids, corners with six equivalent Re(1)Fe4Co3 hexagonal pyramids, edges with three equivalent Fe(1)Co3Re4 hexagonal pyramids, and edges with six equivalent Re(1)Fe4Co3 hexagonal pyramids. There are three shorter (2.34 Å) and one longer (2.48 Å) Re(1)-Fe(1) bond length. All Re(1)-Co(1) bond lengths are 2.26 Å. Fe(1) is bonded to four equivalent Re(1) and three equivalent Co(1) atoms to form distorted FeCo3Re4 hexagonal pyramids that share corners with three equivalent Re(1)Fe4Co3 hexagonal pyramids, corners with six equivalent Fe(1)Co3Re4 hexagonal pyramids, edges with three equivalent Re(1)Fe4Co3 hexagonal pyramids, and edges with six equivalent Fe(1)Co3Re4 hexagonal pyramids. All Fe(1)-Co(1) bond lengths are 2.26 Å. Co(1) is bonded in a hexagonal planar geometry to three equivalent Re(1) and three equivalent Fe(1) atoms.