data_MgSc2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSc2Cr
_chemical_formula_sum   'Mg1 Sc2 Cr1'
_cell_volume   78.21
_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
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Sc  Sc2  1  0.72  0.82  0.56  1.0
  Sc  Sc3  1  0.72  0.18  0.56  1.0
  Cr  Cr0  1  0.44  0.0  0.0  1.0

data_MgSc2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   93.18
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSc2Cr
_chemical_formula_sum   'Mg1 Sc2 Cr1'
_cell_volume   78.21
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.56  0.72  0.18  1.0
  Sc  Sc2  1  0.56  0.72  0.82  1.0
  Cr  Cr3  1  -0.0  0.44  0.0  1.0

Mg Sc Sc Cr
MgSc2Cr crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), and one Cr(1) atom. There is one shorter (2.13 Å) and one longer (2.40 Å) Mg(1)-Sc(1) bond length. There is one shorter (2.19 Å) and one longer (2.46 Å) Mg(1)-Sc(2) bond length. The Mg(1)-Cr(1) bond length is 2.20 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent Sc(2), and two equivalent Cr(1) atoms. There is one shorter (1.82 Å) and one longer (3.18 Å) Sc(1)-Sc(2) bond length. There is one shorter (2.19 Å) and one longer (2.46 Å) Sc(1)-Cr(1) bond length. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent Sc(1), and two equivalent Cr(1) atoms. There is one shorter (2.13 Å) and one longer (2.40 Å) Sc(2)-Cr(1) bond length. Cr(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Sc(1), and two equivalent Sc(2) atoms.