data_SrZrBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   6.7
_cell_length_c   6.7
_cell_angle_alpha   28.66
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrBe2
_chemical_formula_sum   'Sr1 Zr1 Be2'
_cell_volume   84.57
_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
  Sr  Sr2  1  0.0  0.0  0.8  1.0
  Zr  Zr3  1  0.96  0.0  0.11  1.0
  Be  Be0  1  0.0  0.0  0.53  1.0
  Be  Be1  1  0.96  0.0  0.52  1.0

data_SrZrBe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   3.93
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   104.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrBe2
_chemical_formula_sum   'Sr1 Zr1 Be2'
_cell_volume   84.57
_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
  Sr  Sr0  1  0.2  0.0  0.2  1.0
  Zr  Zr1  1  0.89  0.96  0.89  1.0
  Be  Be2  1  0.47  0.0  0.47  1.0
  Be  Be3  1  0.48  0.96  0.48  1.0

Sr Zr Be Be
SrBe2Zr is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SrBe2Zr cluster. Sr(1) is bonded in a 3-coordinate geometry to one Be(1), one Be(2), and one Zr(1) atom. The Sr(1)-Be(1) bond length is 1.85 Å. The Sr(1)-Be(2) bond length is 1.87 Å. The Sr(1)-Zr(1) bond length is 2.07 Å. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a distorted single-bond geometry to one Sr(1) and one Be(2) atom. The Be(1)-Be(2) bond length is 0.15 Å. In the second Be site, Be(2) is bonded in a single-bond geometry to one Sr(1) and one Be(1) atom. Zr(1) is bonded in a distorted single-bond geometry to one Sr(1) atom.