data_ScCo2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   7.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCo2Re
_chemical_formula_sum   'Sc1 Co2 Re1'
_cell_volume   54.71
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.38  0.38  0.95  1.0
  Co  Co1  1  0.38  0.38  0.25  1.0
  Re  Re2  1  0.0  0.0  0.6  1.0

data_ScCo2Re
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   7.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScCo2Re
_chemical_formula_sum   'Sc2 Co4 Re2'
_cell_volume   109.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Co  Co1  2  0.38  0.0  0.25  1.0
  Co  Co2  2  0.38  0.0  0.95  1.0
  Re  Re3  2  0.0  0.0  0.6  1.0

Sc Co Co Re
ScReCo2 crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a 1-coordinate geometry to one Re(1), one Co(1), and one Co(2) atom. The Sc(1)-Re(1) bond length is 2.87 Å. The Sc(1)-Co(1) bond length is 1.52 Å. The Sc(1)-Co(2) bond length is 2.35 Å. Re(1) is bonded in a 13-coordinate geometry to one Sc(1), four equivalent Re(1), four equivalent Co(1), and four equivalent Co(2) atoms. All Re(1)-Re(1) bond lengths are 2.76 Å. There are a spread of Re(1)-Co(1) bond distances ranging from 2.90-3.48 Å. There are a spread of Re(1)-Co(2) bond distances ranging from 2.90-3.48 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 1-coordinate geometry to one Sc(1) and four equivalent Re(1) atoms. In the second Co site, Co(2) is bonded in a 1-coordinate geometry to one Sc(1) and four equivalent Re(1) atoms.