data_ScMn2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMn2Re
_chemical_formula_sum   'Sc1 Mn2 Re1'
_cell_volume   56.43
_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  0.71  1.0
  Mn  Mn0  1  0.91  0.0  0.22  1.0
  Mn  Mn1  1  0.0  0.0  0.94  1.0
  Re  Re2  1  0.91  0.0  0.06  1.0

data_ScMn2Re
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScMn2Re
_chemical_formula_sum   'Sc1 Mn2 Re1'
_cell_volume   56.44
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Sc0  1  0.0  0.0  0.71  1.0
  Mn  Mn1  1  0.0  0.0  0.94  1.0
  Mn  Mn2  1  0.91  0.0  0.22  1.0
  Re  Re3  1  0.91  0.0  0.06  1.0

Sc Mn Mn Re
Sc Mn Mn Re 0 2 o o o 1 3 o o o 2 3 - o + 
ScReMn2 crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one ScReMn2 cluster. Sc(1) is bonded in a single-bond geometry to one Mn(2) atom. The Sc(1)-Mn(2) bond length is 1.75 Å. Re(1) is bonded in a distorted linear geometry to one Mn(1) and one Mn(2) atom. The Re(1)-Mn(1) bond length is 1.25 Å. The Re(1)-Mn(2) bond length is 0.92 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to one Re(1) atom. In the second Mn site, Mn(2) is bonded in a distorted single-bond geometry to one Sc(1) and one Re(1) atom.