data_SrScAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrScAs2
_chemical_formula_sum   'Sr1 Sc1 As2'
_cell_volume   92.95
_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  Sr3  1  0.0  0.0  0.46  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.83  0.83  0.49  1.0
  As  As1  1  0.83  0.83  0.42  1.0

data_SrScAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrScAs2
_chemical_formula_sum   'Sr2 Sc2 As4'
_cell_volume   185.9
_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  0.46  1.0
  Sc  Sc1  2  0.0  0.0  0.0  1.0
  As  As2  2  0.33  0.5  0.42  1.0
  As  As3  2  0.33  0.5  0.49  1.0

Sr Sc As As
SrScAs2 crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a 2-coordinate geometry to two equivalent Sc(1), one As(1), and one As(2) atom. There is one shorter (3.18 Å) and one longer (3.74 Å) Sr(1)-Sc(1) bond length. The Sr(1)-As(1) bond length is 0.90 Å. The Sr(1)-As(2) bond length is 0.90 Å. Sc(1) is bonded in a 8-coordinate geometry to two equivalent Sr(1), four equivalent Sc(1), one As(1), and one As(2) atom. All Sc(1)-Sc(1) bond lengths are 3.67 Å. The Sc(1)-As(1) bond length is 3.60 Å. The Sc(1)-As(2) bond length is 3.06 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 2-coordinate geometry to one Sr(1), one Sc(1), and one As(2) atom. The As(1)-As(2) bond length is 0.49 Å. In the second As site, As(2) is bonded in a 2-coordinate geometry to one Sr(1), one Sc(1), and one As(1) atom.