data_Y2ScP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   4.98
_cell_angle_alpha   113.1
_cell_angle_beta   113.1
_cell_angle_gamma   33.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ScP
_chemical_formula_sum   'Y2 Sc1 P1'
_cell_volume   97.41
_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
  Y  Y2  1  0.02  0.0  0.02  1.0
  Y  Y3  1  0.98  0.0  0.16  1.0
  Sc  Sc1  1  0.04  0.0  0.38  1.0
  P  P0  1  0.85  0.0  0.26  1.0

data_Y2ScP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   4.98
_cell_length_c   6.25
_cell_angle_alpha   113.1
_cell_angle_beta   106.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ScP
_chemical_formula_sum   'Y2 Sc1 P1'
_cell_volume   97.41
_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
  Y  Y0  1  0.0  0.02  0.02  1.0
  Y  Y1  1  0.0  0.16  0.98  1.0
  Sc  Sc2  1  0.0  0.38  0.04  1.0
  P  P3  1  0.0  0.26  0.85  1.0

Y Y Sc P
Y Y Sc P 0 1 - o o 1 2 + o o 1 3 o o o 2 3 - o o 
Y2ScP crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Y2ScP cluster. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a single-bond geometry to one Y(2) atom. The Y(1)-Y(2) bond length is 0.80 Å. In the second Y site, Y(2) is bonded in a 3-coordinate geometry to one Y(1), one Sc(1), and one P(1) atom. The Y(2)-Sc(1) bond length is 0.98 Å. The Y(2)-P(1) bond length is 1.09 Å. Sc(1) is bonded in a 2-coordinate geometry to one Y(2) and one P(1) atom. The Sc(1)-P(1) bond length is 1.12 Å. P(1) is bonded in a 2-coordinate geometry to one Y(2) and one Sc(1) atom.