data_ScNiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNiAs2
_chemical_formula_sum   'Sc1 Ni1 As2'
_cell_volume   65.47
_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  Sc3  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.2  0.0  0.0  1.0
  As  As0  1  0.6  0.64  0.56  1.0
  As  As1  1  0.6  0.36  0.56  1.0

data_ScNiAs2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.12
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScNiAs2
_chemical_formula_sum   'Sc1 Ni1 As2'
_cell_volume   65.49
_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
  Ni  Ni1  1  0.0  0.0  0.2  1.0
  As  As2  2  0.56  0.36  0.6  1.0

Sc Ni As As
Sc Ni As As 0 1 o o o 2 3 o o o 
ScNiAs2 crystallizes in the monoclinic Pm space group. Sc(1) is bonded in a single-bond geometry to one Ni(1) and four equivalent As(1) atoms. The Sc(1)-Ni(1) bond length is 0.90 Å. There are two shorter (2.82 Å) and two longer (3.01 Å) Sc(1)-As(1) bond lengths. Ni(1) is bonded in a single-bond geometry to one Sc(1) and four equivalent As(1) atoms. There are two shorter (2.82 Å) and two longer (3.01 Å) Ni(1)-As(1) bond lengths. As(1) is bonded in a 5-coordinate geometry to two equivalent Sc(1), two equivalent Ni(1), and one As(1) atom. The As(1)-As(1) bond length is 1.31 Å.