data_BeCrCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   3.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCrCu2
_chemical_formula_sum   'Be1 Cr1 Cu2'
_cell_volume   47.41
_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
  Cr  Cr1  1  0.81  0.81  0.0  1.0
  Cu  Cu2  1  0.81  0.0  0.81  1.0
  Cu  Cu3  1  0.0  0.81  0.81  1.0

data_BeCrCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   3.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeCrCu2
_chemical_formula_sum   'Be2 Cr2 Cu4'
_cell_volume   94.82
_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
  Be  Be0  2  0.0  0.0  0.0  1.0
  Cr  Cr1  2  0.31  0.5  0.0  1.0
  Cu  Cu2  4  0.4  0.4  0.81  1.0

Be Cr Cu Cu
Be Cr Cu Cu 0 1 - - o 0 2 - o - 0 3 o - - 1 3 + o - 1 2 o + - 2 3 + - o 
BeCrCu2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BeCrCu2 clusters. Be(1) is bonded in a 3-coordinate geometry to one Cr(1) and two equivalent Cu(1) atoms. The Be(1)-Cr(1) bond length is 0.98 Å. Both Be(1)-Cu(1) bond lengths are 0.97 Å. Cr(1) is bonded in a 3-coordinate geometry to one Be(1) and two equivalent Cu(1) atoms. Both Cr(1)-Cu(1) bond lengths are 0.97 Å. Cu(1) is bonded in a 3-coordinate geometry to one Be(1), one Cr(1), and one Cu(1) atom. The Cu(1)-Cu(1) bond length is 0.98 Å.