data_ScTaAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   3.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaAs2
_chemical_formula_sum   'Sc1 Ta1 As2'
_cell_volume   70.69
_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
  Ta  Ta3  1  0.25  0.0  0.0  1.0
  As  As0  1  0.63  0.35  0.65  1.0
  As  As1  1  0.63  0.65  0.65  1.0

data_ScTaAs2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.3
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScTaAs2
_chemical_formula_sum   'Sc1 Ta1 As2'
_cell_volume   70.7
_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  0.0  1.0
  Ta  Ta1  1  -0.0  0.0  0.25  1.0
  As  As2  2  0.65  0.35  0.63  1.0

Sc Ta As As
ScTaAs2 crystallizes in the monoclinic Pm space group. Sc(1) is bonded in a 3-coordinate geometry to one Ta(1) and four equivalent As(1) atoms. The Sc(1)-Ta(1) bond length is 1.16 Å. There are two shorter (2.65 Å) and two longer (3.21 Å) Sc(1)-As(1) bond lengths. Ta(1) is bonded in a 3-coordinate geometry to one Sc(1) and four equivalent As(1) atoms. There are two shorter (2.65 Å) and two longer (3.21 Å) Ta(1)-As(1) bond lengths. As(1) is bonded in a 5-coordinate geometry to two equivalent Sc(1), two equivalent Ta(1), and one As(1) atom. The As(1)-As(1) bond length is 1.35 Å.