data_MnTlOs
_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   MnTlOs
_chemical_formula_sum   'Mn1 Tl1 Os1'
_cell_volume   61.26
_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
  Tl  Tl2  1  0.13  0.13  0.13  1.0
  Os  Os1  1  0.56  0.56  0.56  1.0

data_MnTlOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   10.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnTlOs
_chemical_formula_sum   'Mn3 Tl3 Os3'
_cell_volume   183.78
_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
  Tl  Tl1  3  0.0  0.0  0.87  1.0
  Os  Os2  3  0.0  0.0  0.44  1.0

Mn Tl Os
MnOsTl crystallizes in the trigonal R3m space group. Mn(1) is bonded to three equivalent Os(1) and one Tl(1) atom to form distorted MnTlOs3 tetrahedra that share corners with three equivalent Tl(1)MnOs3 tetrahedra, corners with six equivalent Mn(1)TlOs3 tetrahedra, and edges with three equivalent Tl(1)MnOs3 tetrahedra. All Mn(1)-Os(1) bond lengths are 2.78 Å. The Mn(1)-Tl(1) bond length is 1.40 Å. Os(1) is bonded in a 6-coordinate geometry to three equivalent Mn(1) and three equivalent Tl(1) atoms. All Os(1)-Tl(1) bond lengths are 2.78 Å. Tl(1) is bonded to one Mn(1) and three equivalent Os(1) atoms to form distorted TlMnOs3 tetrahedra that share corners with three equivalent Mn(1)TlOs3 tetrahedra, corners with six equivalent Tl(1)MnOs3 tetrahedra, and edges with three equivalent Mn(1)TlOs3 tetrahedra.