data_Sc2ReCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ReCl
_chemical_formula_sum   'Sc2 Re1 Cl1'
_cell_volume   73.77
_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  Sc2  1  0.44  0.0  0.54  1.0
  Sc  Sc3  1  0.0  0.44  0.54  1.0
  Re  Re1  1  0.44  0.44  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Sc2ReCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2ReCl
_chemical_formula_sum   'Sc4 Re2 Cl2'
_cell_volume   147.54
_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  4  0.22  0.22  0.54  1.0
  Re  Re1  2  0.44  0.0  0.0  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Sc Sc Re Cl
Sc Sc Re Cl 0 3 o o o 0 3 o o + 0 3 + o o 0 3 + o + 0 1 o o o 0 2 o - o 0 2 o - + 0 2 o o o 0 2 o o + 0 0 o o + 1 2 - o o 1 2 - o + 1 2 o o o 1 2 o o + 1 3 o o o 1 3 o o + 1 3 o + o 1 3 o + + 1 1 o o + 2 3 o o o 2 2 o o + 3 3 o o + 
Sc2ReCl crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a 8-coordinate geometry to four equivalent Re(1) and four equivalent Cl(1) atoms. There are a spread of Sc(1)-Re(1) bond distances ranging from 2.59-3.19 Å. There are a spread of Sc(1)-Cl(1) bond distances ranging from 2.59-3.19 Å. Re(1) is bonded in a 11-coordinate geometry to eight equivalent Sc(1), two equivalent Re(1), and one Cl(1) atom. Both Re(1)-Re(1) bond lengths are 3.09 Å. The Re(1)-Cl(1) bond length is 3.07 Å. Cl(1) is bonded in a 9-coordinate geometry to eight equivalent Sc(1) and one Re(1) atom.