data_ZrBe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   3.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBe2Os
_chemical_formula_sum   'Zr1 Be2 Os1'
_cell_volume   52.94
_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  0.0  1.0
  Be  Be0  1  0.33  0.61  0.54  1.0
  Be  Be1  1  0.33  0.39  0.54  1.0
  Os  Os2  1  0.66  0.0  0.0  1.0

data_ZrBe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.18
_cell_length_c   4.18
_cell_angle_alpha   100.95
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBe2Os
_chemical_formula_sum   'Zr1 Be2 Os1'
_cell_volume   52.94
_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  Zr0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.54  0.33  0.39  1.0
  Be  Be2  1  0.54  0.33  0.61  1.0
  Os  Os3  1  -0.0  0.66  0.0  1.0

Zr Be Be Os
Be2ZrOs crystallizes in the triclinic P1 space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 5-coordinate geometry to one Be(2), two equivalent Zr(1), and two equivalent Os(1) atoms. The Be(1)-Be(2) bond length is 0.94 Å. There is one shorter (2.72 Å) and one longer (2.86 Å) Be(1)-Zr(1) bond length. There is one shorter (2.38 Å) and one longer (2.54 Å) Be(1)-Os(1) bond length. In the second Be site, Be(2) is bonded in a 5-coordinate geometry to one Be(1), two equivalent Zr(1), and two equivalent Os(1) atoms. There is one shorter (2.38 Å) and one longer (2.54 Å) Be(2)-Zr(1) bond length. There is one shorter (2.72 Å) and one longer (2.86 Å) Be(2)-Os(1) bond length. Zr(1) is bonded in a distorted single-bond geometry to two equivalent Be(1), two equivalent Be(2), and one Os(1) atom. The Zr(1)-Os(1) bond length is 1.42 Å. Os(1) is bonded in a distorted single-bond geometry to two equivalent Be(1), two equivalent Be(2), and one Zr(1) atom.