data_ZrMnBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnBe2
_chemical_formula_sum   'Zr1 Mn1 Be2'
_cell_volume   48.18
_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
  Zr  Zr3  1  0.0  0.0  0.83  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.03  0.0  0.64  1.0
  Be  Be1  1  0.03  0.0  0.02  1.0

data_ZrMnBe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZrMnBe2
_chemical_formula_sum   'Zr1 Mn1 Be2'
_cell_volume   48.2
_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
  Zr  Zr0  1  0.0  0.0  0.83  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.03  0.0  0.02  1.0
  Be  Be3  1  0.03  0.0  0.64  1.0

Zr Mn Be Be
Be2ZrMn crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one Be2ZrMn cluster. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a single-bond geometry to one Zr(1) atom. The Be(1)-Zr(1) bond length is 1.10 Å. In the second Be site, Be(2) is bonded in a single-bond geometry to one Mn(1) atom. The Be(2)-Mn(1) bond length is 0.17 Å. Zr(1) is bonded in a linear geometry to one Be(1) and one Mn(1) atom. The Zr(1)-Mn(1) bond length is 0.95 Å. Mn(1) is bonded in a bent 150 degrees geometry to one Be(2) and one Zr(1) atom.