data_BeCrAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   3.1
_cell_angle_alpha   91.24
_cell_angle_beta   91.24
_cell_angle_gamma   95.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCrAu2
_chemical_formula_sum   'Be1 Cr1 Au2'
_cell_volume   60.47
_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  Be2  1  0.0  0.0  0.0  1.0
  Cr  Cr3  1  0.98  0.0  0.0  1.0
  Au  Au0  1  0.44  0.36  0.55  1.0
  Au  Au1  1  0.44  0.64  0.55  1.0

data_BeCrAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   95.35
_cell_angle_beta   91.24
_cell_angle_gamma   91.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCrAu2
_chemical_formula_sum   'Be1 Cr1 Au2'
_cell_volume   60.47
_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
  Cr  Cr1  1  -0.0  0.98  0.0  1.0
  Au  Au2  1  0.55  0.44  0.36  1.0
  Au  Au3  1  0.55  0.44  0.64  1.0

Be Cr Au Au
BeCrAu2 crystallizes in the triclinic P1 space group. Be(1) is bonded in a single-bond geometry to one Cr(1), one Au(2), and two equivalent Au(1) atoms. The Be(1)-Cr(1) bond length is 0.09 Å. The Be(1)-Au(2) bond length is 2.99 Å. There is one shorter (2.82 Å) and one longer (2.91 Å) Be(1)-Au(1) bond length. Cr(1) is bonded in a single-bond geometry to one Be(1), one Au(1), and two equivalent Au(2) atoms. The Cr(1)-Au(1) bond length is 3.31 Å. There is one shorter (3.05 Å) and one longer (3.29 Å) Cr(1)-Au(2) bond length. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 4-coordinate geometry to two equivalent Be(1), one Cr(1), and one Au(2) atom. The Au(1)-Au(2) bond length is 1.21 Å. In the second Au site, Au(2) is bonded in a 4-coordinate geometry to one Be(1), two equivalent Cr(1), and one Au(1) atom.