data_Sr(ScSi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   133.08
_cell_angle_beta   133.08
_cell_angle_gamma   68.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr(ScSi)2
_chemical_formula_sum   'Sr1 Sc2 Si2'
_cell_volume   132.19
_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  Sr4  1  0.0  0.0  0.0  1.0
  Sc  Sc0  1  0.0  0.0  0.02  1.0
  Sc  Sc1  1  0.0  0.0  0.42  1.0
  Si  Si2  1  0.0  0.52  0.61  1.0
  Si  Si3  1  0.52  0.0  0.61  1.0

data_Sr(ScSi)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.12
_cell_length_b   7.12
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   124.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr(ScSi)2
_chemical_formula_sum   'Sr2 Sc4 Si4'
_cell_volume   264.37
_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  0.0  1.0
  Sc  Sc1  2  0.08  0.5  0.58  1.0
  Sc  Sc2  2  0.48  0.5  0.98  1.0
  Si  Si3  4  0.15  0.24  0.9  1.0

Sr Sc Sc Si Si
Sr(ScSi)2 crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a single-bond geometry to one Sc(1), one Sc(2), and two equivalent Si(1) atoms. The Sr(1)-Sc(1) bond length is 0.15 Å. The Sr(1)-Sc(2) bond length is 3.66 Å. Both Sr(1)-Si(1) bond lengths are 2.27 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a single-bond geometry to one Sr(1), one Sc(2), and four equivalent Si(1) atoms. The Sc(1)-Sc(2) bond length is 2.51 Å. There are two shorter (2.29 Å) and two longer (2.81 Å) Sc(1)-Si(1) bond lengths. In the second Sc site, Sc(2) is bonded in a distorted tetrahedral geometry to one Sr(1), one Sc(1), and two equivalent Si(1) atoms. Both Sc(2)-Si(1) bond lengths are 2.59 Å. Si(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sc(2), and two equivalent Sc(1) atoms.