data_AlCoRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   4.07
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCoRe
_chemical_formula_sum   'Al1 Co1 Re1'
_cell_volume   47.8
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.88  0.88  0.88  1.0
  Re  Re2  1  0.44  0.44  0.44  1.0

data_AlCoRe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   9.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AlCoRe
_chemical_formula_sum   'Al3 Co3 Re3'
_cell_volume   143.4
_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
  Al  Al0  3  0.0  0.0  0.0  1.0
  Co  Co1  3  0.0  0.0  0.12  1.0
  Re  Re2  3  0.0  0.0  0.56  1.0

Al Co Re
Al Co Re 0 1 - - - 0 2 o o - 0 2 o - o 0 2 - o o 1 2 + o o 1 2 o + o 1 2 o o + 
ReCoAl crystallizes in the trigonal R3m space group. Re(1) is bonded in a 6-coordinate geometry to three equivalent Co(1) and three equivalent Al(1) atoms. All Re(1)-Co(1) bond lengths are 2.58 Å. All Re(1)-Al(1) bond lengths are 2.58 Å. Co(1) is bonded in a single-bond geometry to three equivalent Re(1) and one Al(1) atom. The Co(1)-Al(1) bond length is 1.19 Å. Al(1) is bonded in a distorted single-bond geometry to three equivalent Re(1) and one Co(1) atom.