data_NaScP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   3.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaScP2
_chemical_formula_sum   'Na1 Sc1 P2'
_cell_volume   70.48
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Sc  Sc3  1  0.19  0.19  0.0  1.0
  P  P1  1  0.0  0.19  0.83  1.0
  P  P2  1  0.19  0.0  0.83  1.0

data_NaScP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   3.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaScP2
_chemical_formula_sum   'Na2 Sc2 P4'
_cell_volume   140.97
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Sc  Sc1  2  0.19  0.0  -0.0  1.0
  P  P2  4  0.1  0.1  0.83  1.0

Na Sc P P
NaScP2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NaScP2 clusters. Na(1) is bonded in a 3-coordinate geometry to one Sc(1) and two equivalent P(1) atoms. The Na(1)-Sc(1) bond length is 1.21 Å. Both Na(1)-P(1) bond lengths are 1.06 Å. Sc(1) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent P(1) atoms. Both Sc(1)-P(1) bond lengths are 1.06 Å. P(1) is bonded in a 2-coordinate geometry to one Na(1) and one Sc(1) atom.