data_Sr2ScRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ScRe
_chemical_formula_sum   'Sr2 Sc1 Re1'
_cell_volume   122.58
_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
  Sr  Sr2  1  0.82  0.82  0.61  1.0
  Sr  Sr3  1  0.0  0.0  0.02  1.0
  Sc  Sc1  1  0.0  0.0  0.19  1.0
  Re  Re0  1  0.82  0.82  0.19  1.0

data_Sr2ScRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2ScRe
_chemical_formula_sum   'Sr4 Sc2 Re2'
_cell_volume   245.17
_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
  Sr  Sr0  2  0.0  0.0  0.02  1.0
  Sr  Sr1  2  0.32  0.5  0.61  1.0
  Sc  Sc2  2  0.0  0.0  0.19  1.0
  Re  Re3  2  0.32  0.5  0.19  1.0

Sr Sr Sc Re
Sr2ScRe crystallizes in the monoclinic Cm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one Sr(2), four equivalent Sr(1), one Sc(1), and one Re(1) atom. The Sr(1)-Sr(2) bond length is 3.91 Å. All Sr(1)-Sr(1) bond lengths are 3.65 Å. The Sr(1)-Sc(1) bond length is 3.99 Å. The Sr(1)-Re(1) bond length is 3.84 Å. In the second Sr site, Sr(2) is bonded in a 2-coordinate geometry to one Sr(1), one Sc(1), and one Re(1) atom. The Sr(2)-Sc(1) bond length is 1.52 Å. The Sr(2)-Re(1) bond length is 1.81 Å. Sc(1) is bonded in a distorted L-shaped geometry to one Sr(1), one Sr(2), and one Re(1) atom. The Sc(1)-Re(1) bond length is 0.91 Å. Re(1) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), and one Sc(1) atom.