data_Sc2AuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   3.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AuBr
_chemical_formula_sum   'Sc2 Au1 Br1'
_cell_volume   83.03
_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  0.53  0.62  1.0
  Sc  Sc3  1  0.53  0.0  0.62  1.0
  Au  Au0  1  0.53  0.53  0.0  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_Sc2AuBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.16
_cell_length_b   7.16
_cell_length_c   3.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2AuBr
_chemical_formula_sum   'Sc4 Au2 Br2'
_cell_volume   166.06
_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  4  0.27  0.27  0.62  1.0
  Au  Au1  2  0.03  0.5  0.0  1.0
  Br  Br2  2  0.0  0.0  0.0  1.0

Sc Sc Au Br
Sc2AuBr crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a 8-coordinate geometry to four equivalent Au(1) and four equivalent Br(1) atoms. There are a spread of Sc(1)-Au(1) bond distances ranging from 2.67-3.36 Å. There are a spread of Sc(1)-Br(1) bond distances ranging from 2.67-3.36 Å. Au(1) is bonded in a 8-coordinate geometry to eight equivalent Sc(1) atoms. Br(1) is bonded in a 8-coordinate geometry to eight equivalent Sc(1) atoms.