data_MnSnOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   4.42
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSnOs2
_chemical_formula_sum   'Mn1 Sn1 Os2'
_cell_volume   61.03
_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
  Sn  Sn3  1  0.12  0.12  0.12  1.0
  Os  Os1  1  0.69  0.69  0.69  1.0
  Os  Os2  1  0.56  0.56  0.56  1.0

data_MnSnOs2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   10.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnSnOs2
_chemical_formula_sum   'Mn3 Sn3 Os6'
_cell_volume   183.08
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Sn  Sn1  3  0.0  0.0  0.88  1.0
  Os  Os2  3  0.0  0.0  0.31  1.0
  Os  Os3  3  0.0  0.0  0.44  1.0

Mn Sn Os Os
(Os)2MnSn is Halite, Rock Salt structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three MnSn clusters and three Os clusters. In each MnSn cluster, Mn(1) is bonded in a single-bond geometry to one Sn(1) atom. The Mn(1)-Sn(1) bond length is 1.35 Å. Sn(1) is bonded in a single-bond geometry to one Mn(1) atom. In each Os cluster, there are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 1-coordinate geometry to one Os(2) atom. The Os(1)-Os(2) bond length is 1.35 Å. In the second Os site, Os(2) is bonded in a distorted single-bond geometry to one Os(1) atom.