data_MgBeOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   147.51
_cell_angle_beta   127.67
_cell_angle_gamma   62.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBeOs2
_chemical_formula_sum   'Mg1 Be1 Os2'
_cell_volume   54.24
_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  Mg1  1  0.0  0.0  0.31  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.41  0.0  0.85  1.0
  Os  Os3  1  0.0  0.23  0.46  1.0

data_MgBeOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.46
_cell_length_c   5.05
_cell_angle_alpha   116.17
_cell_angle_beta   106.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBeOs2
_chemical_formula_sum   'Mg1 Be1 Os2'
_cell_volume   54.24
_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  0.31  0.31  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.85  0.43  1.0
  Os  Os3  1  0.77  0.23  0.23  1.0

Mg Be Os Os
Mg Be Os Os 0 3 o o o 0 1 o o o 0 2 o o o 0 2 - o - 1 3 o o o 1 2 o o - 1 2 - o - 2 3 o o o 2 3 + o + 2 2 o + + 
MgBeOs2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a single-bond geometry to one Be(1), one Os(1), and one Os(2) atom. The Mg(1)-Be(1) bond length is 1.56 Å. The Mg(1)-Os(1) bond length is 2.19 Å. The Mg(1)-Os(2) bond length is 0.65 Å. Be(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Os(1), and two equivalent Os(2) atoms. There is one shorter (2.57 Å) and one longer (2.63 Å) Be(1)-Os(1) bond length. There is one shorter (1.49 Å) and one longer (2.17 Å) Be(1)-Os(2) bond length. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 1-coordinate geometry to one Mg(1) and two equivalent Be(1) atoms. In the second Os site, Os(2) is bonded in a single-bond geometry to one Mg(1) and two equivalent Be(1) atoms.