data_Mg2ZrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   4.89
_cell_angle_alpha   113.68
_cell_angle_beta   113.68
_cell_angle_gamma   39.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZrOs
_chemical_formula_sum   'Mg2 Zr1 Os1'
_cell_volume   76.23
_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
  Mg  Mg0  1  0.73  0.0  0.36  1.0
  Mg  Mg1  1  0.7  0.0  0.34  1.0
  Zr  Zr3  1  0.01  0.0  0.3  1.0
  Os  Os2  1  0.89  0.0  0.07  1.0

data_Mg2ZrOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.89
_cell_length_c   5.21
_cell_angle_alpha   113.68
_cell_angle_beta   109.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZrOs
_chemical_formula_sum   'Mg2 Zr1 Os1'
_cell_volume   76.23
_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
  Mg  Mg0  1  0.0  0.34  0.7  1.0
  Mg  Mg1  1  0.0  0.36  0.73  1.0
  Zr  Zr2  1  0.0  0.3  0.01  1.0
  Os  Os3  1  0.0  0.07  0.89  1.0

Mg Mg Zr Os
(Mg)2OsZr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mg cluster and one OsZr cluster. In the Mg cluster, there are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to one Mg(2) atom. The Mg(1)-Mg(2) bond length is 0.16 Å. In the second Mg site, Mg(2) is bonded in a single-bond geometry to one Mg(1) atom. In the OsZr cluster, Zr(1) is bonded in a single-bond geometry to one Os(1) atom. The Zr(1)-Os(1) bond length is 1.03 Å. Os(1) is bonded in a single-bond geometry to one Zr(1) atom.