data_ScCrP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCrP2
_chemical_formula_sum   'Sc1 Cr1 P2'
_cell_volume   55.82
_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  Sc3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.21  1.0
  P  P1  1  0.47  0.47  0.54  1.0
  P  P2  1  0.47  0.47  0.88  1.0

data_ScCrP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScCrP2
_chemical_formula_sum   'Sc2 Cr2 P4'
_cell_volume   111.63
_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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Cr  Cr1  2  0.0  0.0  0.21  1.0
  P  P2  2  0.47  0.0  0.54  1.0
  P  P3  2  0.47  0.0  0.88  1.0

Sc Cr P P
ScCrP2 crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a 5-coordinate geometry to one Cr(1) and four equivalent P(2) atoms. The Sc(1)-Cr(1) bond length is 1.34 Å. There are a spread of Sc(1)-P(2) bond distances ranging from 2.12-2.32 Å. Cr(1) is bonded in a single-bond geometry to one Sc(1) and four equivalent P(1) atoms. There are a spread of Cr(1)-P(1) bond distances ranging from 2.88-3.03 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 5-coordinate geometry to four equivalent Cr(1) and one P(2) atom. The P(1)-P(2) bond length is 2.24 Å. In the second P site, P(2) is bonded in a 4-coordinate geometry to four equivalent Sc(1) and one P(1) atom.