data_MnOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68
_cell_length_b   2.68
_cell_length_c   9.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnOs3
_chemical_formula_sum   'Mn1 Os3'
_cell_volume   57.49
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.5  1.0
  Os  Os2  1  0.39  0.0  0.84  1.0
  Os  Os3  1  0.39  0.0  0.16  1.0

data_MnOs3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.68
_cell_length_b   9.01
_cell_length_c   2.68
_cell_angle_alpha   90.0
_cell_angle_beta   117.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MnOs3
_chemical_formula_sum   'Mn1 Os3'
_cell_volume   57.49
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Os  Os1  2  0.39  0.16  0.0  1.0
  Os  Os2  1  0.0  0.5  0.0  1.0

Mn Os Os Os
MnOs3 crystallizes in the triclinic P1 space group. Mn(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Os(2) and two equivalent Os(3) atoms. There is one shorter (1.76 Å) and one longer (2.15 Å) Mn(1)-Os(2) bond length. There is one shorter (1.80 Å) and one longer (2.18 Å) Mn(1)-Os(3) bond length. There are three inequivalent Os sites. In the first Os site, Os(1) is bonded in a 10-coordinate geometry to two equivalent Os(2), two equivalent Os(3), and six equivalent Os(1) atoms. There is one shorter (3.25 Å) and one longer (3.48 Å) Os(1)-Os(2) bond length. There is one shorter (3.25 Å) and one longer (3.48 Å) Os(1)-Os(3) bond length. There are four shorter (2.68 Å) and two longer (2.79 Å) Os(1)-Os(1) bond lengths. In the second Os site, Os(2) is bonded in a distorted L-shaped geometry to two equivalent Mn(1) and two equivalent Os(1) atoms. In the third Os site, Os(3) is bonded in a distorted L-shaped geometry to two equivalent Mn(1) and two equivalent Os(1) atoms.