data_BeAuBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   5.43
_cell_angle_alpha   112.37
_cell_angle_beta   112.37
_cell_angle_gamma   27.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAuBr2
_chemical_formula_sum   'Be1 Au1 Br2'
_cell_volume   106.41
_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
  Be  Be1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.6  0.0  0.5  1.0
  Br  Br2  1  0.03  0.0  0.39  1.0
  Br  Br3  1  0.16  0.0  0.61  1.0

data_BeAuBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.43
_cell_length_c   6.85
_cell_angle_alpha   112.37
_cell_angle_beta   103.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAuBr2
_chemical_formula_sum   'Be1 Au1 Br2'
_cell_volume   106.41
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.0  0.5  0.6  1.0
  Br  Br2  1  0.0  0.39  0.03  1.0
  Br  Br3  1  0.0  0.61  0.16  1.0

Be Au Br Br
BeAuBr2 crystallizes in the triclinic P1 space group. Be(1) is bonded in a distorted bent 150 degrees geometry to one Au(1), one Br(1), and one Br(2) atom. The Be(1)-Au(1) bond length is 3.06 Å. The Be(1)-Br(1) bond length is 2.02 Å. The Be(1)-Br(2) bond length is 2.75 Å. Au(1) is bonded in a 5-coordinate geometry to one Be(1), two equivalent Au(1), one Br(1), and one Br(2) atom. Both Au(1)-Au(1) bond lengths are 3.20 Å. The Au(1)-Br(1) bond length is 3.25 Å. The Au(1)-Br(2) bond length is 3.25 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted bent 150 degrees geometry to one Be(1), one Au(1), and one Br(2) atom. The Br(1)-Br(2) bond length is 1.21 Å. In the second Br site, Br(2) is bonded in a distorted bent 120 degrees geometry to one Be(1), one Au(1), and one Br(1) atom.