data_MnBeCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   143.4
_cell_angle_beta   128.48
_cell_angle_gamma   64.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeCu2
_chemical_formula_sum   'Mn1 Be1 Cu2'
_cell_volume   46.14
_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
  Mn  Mn3  1  0.0  0.02  0.13  1.0
  Be  Be0  1  0.0  0.0  0.97  1.0
  Cu  Cu1  1  0.0  0.02  0.74  1.0
  Cu  Cu2  1  0.0  0.0  0.92  1.0

data_MnBeCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.04
_cell_length_c   4.64
_cell_angle_alpha   115.76
_cell_angle_beta   108.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeCu2
_chemical_formula_sum   'Mn1 Be1 Cu2'
_cell_volume   46.14
_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
  Mn  Mn0  1  0.87  0.88  0.88  1.0
  Be  Be1  1  0.03  0.03  0.03  1.0
  Cu  Cu2  1  0.08  0.08  0.08  1.0
  Cu  Cu3  1  0.26  0.28  0.28  1.0

Mn Be Cu Cu
BeMnCu2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BeMnCu2 cluster. Be(1) is bonded in a distorted linear geometry to one Mn(1) and one Cu(2) atom. The Be(1)-Mn(1) bond length is 0.69 Å. The Be(1)-Cu(2) bond length is 0.24 Å. Mn(1) is bonded in a distorted single-bond geometry to one Be(1) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 1-coordinate geometry to one Cu(2) atom. The Cu(1)-Cu(2) bond length is 0.92 Å. In the second Cu site, Cu(2) is bonded in a distorted single-bond geometry to one Be(1) and one Cu(1) atom.