data_Sc2BeCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2BeCr
_chemical_formula_sum   'Sc2 Be1 Cr1'
_cell_volume   67.35
_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  0.0  0.0  0.58  1.0
  Sc  Sc3  1  0.55  0.55  0.26  1.0
  Be  Be0  1  0.0  0.0  0.96  1.0
  Cr  Cr1  1  0.55  0.55  0.81  1.0

data_Sc2BeCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2BeCr
_chemical_formula_sum   'Sc4 Be2 Cr2'
_cell_volume   134.69
_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  0.58  1.0
  Sc  Sc1  2  0.05  0.5  0.26  1.0
  Be  Be2  2  0.0  0.0  0.96  1.0
  Cr  Cr3  2  0.05  0.5  0.81  1.0

Sc Sc Be Cr
BeSc2Cr crystallizes in the monoclinic Cm space group. Be(1) is bonded in a 9-coordinate geometry to one Sc(1), four equivalent Sc(2), and four equivalent Cr(1) atoms. The Be(1)-Sc(1) bond length is 2.67 Å. There are a spread of Be(1)-Sc(2) bond distances ranging from 2.93-3.22 Å. There are a spread of Be(1)-Cr(1) bond distances ranging from 2.24-2.60 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 13-coordinate geometry to one Be(1), four equivalent Sc(1), four equivalent Sc(2), and four equivalent Cr(1) atoms. All Sc(1)-Sc(1) bond lengths are 3.09 Å. There are a spread of Sc(1)-Sc(2) bond distances ranging from 2.97-3.25 Å. There are a spread of Sc(1)-Cr(1) bond distances ranging from 2.58-2.90 Å. In the second Sc site, Sc(2) is bonded in a 13-coordinate geometry to four equivalent Be(1), four equivalent Sc(1), four equivalent Sc(2), and one Cr(1) atom. All Sc(2)-Sc(2) bond lengths are 3.09 Å. The Sc(2)-Cr(1) bond length is 3.19 Å. Cr(1) is bonded in a 8-coordinate geometry to four equivalent Be(1), one Sc(2), and four equivalent Sc(1) atoms.