data_ScSnAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSnAs2
_chemical_formula_sum   'Sc1 Sn1 As2'
_cell_volume   84.9
_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  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.07  1.0
  As  As0  1  0.86  0.86  0.83  1.0
  As  As1  1  0.86  0.86  0.31  1.0

data_ScSnAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScSnAs2
_chemical_formula_sum   'Sc2 Sn2 As4'
_cell_volume   169.81
_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  2  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.0  0.0  0.07  1.0
  As  As2  2  0.36  0.5  0.31  1.0
  As  As3  2  0.36  0.5  0.83  1.0

Sc Sn As As
Sc Sn As As 0 1 o o o 0 2 - - - 1 3 - - o 
ScSnAs2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ScSnAs2 clusters. Sc(1) is bonded in a bent 150 degrees geometry to one Sn(1) and one As(1) atom. The Sc(1)-Sn(1) bond length is 0.42 Å. The Sc(1)-As(1) bond length is 1.30 Å. Sn(1) is bonded in a distorted single-bond geometry to one Sc(1) and one As(2) atom. The Sn(1)-As(2) bond length is 1.66 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a single-bond geometry to one Sc(1) atom. In the second As site, As(2) is bonded in a single-bond geometry to one Sn(1) atom.