data_Ba2ZrBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   3.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZrBe
_chemical_formula_sum   'Ba2 Zr1 Be1'
_cell_volume   129.64
_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
  Ba  Ba0  1  0.05  0.87  0.86  1.0
  Ba  Ba1  1  0.05  0.13  0.86  1.0
  Zr  Zr3  1  0.1  0.0  0.0  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0

data_Ba2ZrBe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.72
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ba2ZrBe
_chemical_formula_sum   'Ba2 Zr1 Be1'
_cell_volume   129.73
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ba  Ba0  2  0.86  0.13  0.05  1.0
  Zr  Zr1  1  0.0  0.0  0.1  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0

Ba Ba Zr Be
Ba2BeZr crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one Ba2BeZr cluster. Ba(1) is bonded in a 2-coordinate geometry to one Be(1) and one Zr(1) atom. The Ba(1)-Be(1) bond length is 0.96 Å. The Ba(1)-Zr(1) bond length is 0.96 Å. Be(1) is bonded in a single-bond geometry to two equivalent Ba(1) and one Zr(1) atom. The Be(1)-Zr(1) bond length is 0.57 Å. Zr(1) is bonded in a single-bond geometry to two equivalent Ba(1) and one Be(1) atom.