data_Sc2SiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   4.99
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   96.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SiP
_chemical_formula_sum   'Sc2 Si1 P1'
_cell_volume   73.5
_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  Sc1  1  0.96  0.0  0.5  1.0
  Sc  Sc2  1  0.3  0.49  0.11  1.0
  Si  Si3  1  0.38  0.0  0.85  1.0
  P  P0  1  0.15  0.49  0.68  1.0

data_Sc2SiP
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.1
_cell_length_b   4.99
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   96.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sc2SiP
_chemical_formula_sum   'Sc2 Si1 P1'
_cell_volume   73.5
_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  0.3  0.5  0.11  1.0
  Sc  Sc1  1  0.96  0.0  0.5  1.0
  Si  Si2  1  0.38  0.0  0.85  1.0
  P  P3  1  0.15  0.5  0.68  1.0

Sc Sc Si P
Sc Sc Si P 0 2 + o o 1 3 o o - 
ScSiScP crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one phosphanylidynescandium molecule and one ScSi cluster. In the ScSi cluster, Sc(1) is bonded in a 1-coordinate geometry to one Si(1) atom. The Sc(1)-Si(1) bond length is 1.98 Å. Si(1) is bonded in a 1-coordinate geometry to one Sc(1) atom.