data_Sc2CrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.35
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CrPt
_chemical_formula_sum   'Sc2 Cr1 Pt1'
_cell_volume   68.94
_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  0.6  0.67  0.85  1.0
  Sc  Sc3  1  0.6  0.67  0.58  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.22  1.0

data_Sc2CrPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.35
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CrPt
_chemical_formula_sum   'Sc2 Cr1 Pt1'
_cell_volume   68.94
_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  0.6  0.67  0.58  1.0
  Sc  Sc1  1  0.6  0.67  0.85  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.22  1.0

Sc Sc Cr Pt
Sc Sc Cr Pt 0 1 o o o 0 2 + + + 2 3 o o o 
Sc2CrPt crystallizes in the triclinic P1 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 5-coordinate geometry to one Sc(2) and four equivalent Cr(1) atoms. The Sc(1)-Sc(2) bond length is 1.75 Å. There are a spread of Sc(1)-Cr(1) bond distances ranging from 1.93-3.12 Å. In the second Sc site, Sc(2) is bonded in a 2-coordinate geometry to one Sc(1) and one Pt(1) atom. The Sc(2)-Pt(1) bond length is 2.88 Å. Cr(1) is bonded in a 1-coordinate geometry to four equivalent Sc(1) and one Pt(1) atom. The Cr(1)-Pt(1) bond length is 1.38 Å. Pt(1) is bonded in a distorted single-bond geometry to one Sc(2) and one Cr(1) atom.