data_Sc3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3P
_chemical_formula_sum   'Sc6 P2'
_cell_volume   156.67
_cell_formula_units_Z   2
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  0.35  0.0  0.7  1.0
  Sc  Sc3  1  0.04  0.0  0.7  1.0
  Sc  Sc4  1  0.7  0.35  0.0  1.0
  Sc  Sc5  1  0.7  0.04  0.0  1.0
  Sc  Sc6  1  0.0  0.7  0.04  1.0
  Sc  Sc7  1  0.0  0.7  0.35  1.0
  P  P0  1  0.7  0.7  0.7  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Sc3P
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.62
_cell_length_b   7.62
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Sc3P
_chemical_formula_sum   'Sc18 P6'
_cell_volume   470.01
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.0  0.65  0.35  1.0
  Sc  Sc1  9  0.09  0.87  0.91  1.0
  P  P2  3  0.0  0.0  0.0  1.0
  P  P3  3  0.0  0.0  0.7  1.0

Sc Sc Sc Sc Sc Sc P P
Sc Sc Sc Sc Sc Sc P P 0 1 o o o 0 6 o - o 1 7 o o + 1 6 - - o 2 3 o o o 2 6 o o - 3 7 + o o 3 6 o - - 4 7 o + o 4 5 o o o 4 6 - o - 5 6 - o o 6 7 + + + 
Sc3P crystallizes in the trigonal R3 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 2-coordinate geometry to one Sc(2) and one P(1) atom. The Sc(1)-Sc(2) bond length is 1.64 Å. The Sc(1)-P(1) bond length is 2.49 Å. In the second Sc site, Sc(2) is bonded in a distorted single-bond geometry to one Sc(1), one P(1), and one P(2) atom. The Sc(2)-P(1) bond length is 2.49 Å. The Sc(2)-P(2) bond length is 1.66 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted hexagonal planar geometry to three equivalent Sc(1) and three equivalent Sc(2) atoms. In the second P site, P(2) is bonded in a 3-coordinate geometry to three equivalent Sc(2) atoms.