data_ScCrBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   150.79
_cell_angle_beta   150.79
_cell_angle_gamma   41.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCrBr
_chemical_formula_sum   'Sc1 Cr1 Br1'
_cell_volume   67.95
_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  0.19  1.0
  Cr  Cr1  1  0.0  0.0  0.83  1.0
  Br  Br0  1  0.0  0.0  0.3  1.0

data_ScCrBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   110.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScCrBr
_chemical_formula_sum   'Sc2 Cr2 Br2'
_cell_volume   135.9
_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  0.81  1.0
  Cr  Cr1  2  0.0  0.0  0.17  1.0
  Br  Br2  2  0.0  0.0  0.7  1.0

Sc Cr Br
ScCrBr is beta oxygen-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ScCrBr clusters. Sc(1) is bonded in a single-bond geometry to one Cr(1) and one Br(1) atom. The Sc(1)-Cr(1) bond length is 2.36 Å. The Sc(1)-Br(1) bond length is 0.74 Å. Cr(1) is bonded in a single-bond geometry to one Sc(1) atom. Br(1) is bonded in a single-bond geometry to one Sc(1) atom.