data_Sc2ReP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   4.52
_cell_angle_alpha   106.13
_cell_angle_beta   106.13
_cell_angle_gamma   34.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ReP
_chemical_formula_sum   'Sc2 Re1 P1'
_cell_volume   70.94
_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  Sc2  1  0.13  0.0  0.15  1.0
  Sc  Sc3  1  0.48  0.0  0.05  1.0
  Re  Re1  1  0.78  0.0  0.08  1.0
  P  P0  1  0.09  0.0  0.2  1.0

data_Sc2ReP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.52
_cell_length_c   5.39
_cell_angle_alpha   106.13
_cell_angle_beta   107.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2ReP
_chemical_formula_sum   'Sc2 Re1 P1'
_cell_volume   70.94
_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  Sc0  1  0.0  0.05  0.48  1.0
  Sc  Sc1  1  0.0  0.15  0.13  1.0
  Re  Re2  1  0.0  0.08  0.78  1.0
  P  P3  1  0.0  0.2  0.09  1.0

Sc Sc Re P
Sc Sc Re P 0 3 o o o 0 2 - o o 1 2 o o o 2 3 + o o 
Sc2ReP crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Sc2ReP cluster. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a single-bond geometry to one P(1) atom. The Sc(1)-P(1) bond length is 0.37 Å. In the second Sc site, Sc(2) is bonded in a distorted single-bond geometry to one Re(1) atom. The Sc(2)-Re(1) bond length is 1.62 Å. Re(1) is bonded in a distorted linear geometry to one Sc(2) and one P(1) atom. The Re(1)-P(1) bond length is 1.59 Å. P(1) is bonded in a single-bond geometry to one Sc(1) and one Re(1) atom.