data_TmInOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmInOs2
_chemical_formula_sum   'Tm1 In1 Os2'
_cell_volume   71.76
_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
  Tm  Tm3  1  0.3  0.3  0.3  1.0
  In  In0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.95  0.95  0.95  1.0
  Os  Os2  1  0.65  0.65  0.65  1.0

data_TmInOs2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   11.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TmInOs2
_chemical_formula_sum   'Tm3 In3 Os6'
_cell_volume   215.27
_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
  Tm  Tm0  3  0.0  0.0  0.7  1.0
  In  In1  3  0.0  0.0  0.0  1.0
  Os  Os2  3  0.0  0.0  0.05  1.0
  Os  Os3  3  0.0  0.0  0.35  1.0

Tm In Os Os
TmOs2In crystallizes in the trigonal R3m space group. Tm(1) is bonded in a 11-coordinate geometry to three equivalent Os(1), four equivalent Os(2), and four equivalent In(1) atoms. All Tm(1)-Os(1) bond lengths are 2.70 Å. There are three shorter (2.70 Å) and one longer (4.01 Å) Tm(1)-Os(2) bond length. There are three shorter (2.72 Å) and one longer (3.41 Å) Tm(1)-In(1) bond length. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a single-bond geometry to three equivalent Tm(1) and one In(1) atom. The Os(1)-In(1) bond length is 0.60 Å. In the second Os site, Os(2) is bonded in a 3-coordinate geometry to four equivalent Tm(1) atoms. In(1) is bonded in a single-bond geometry to four equivalent Tm(1) and one Os(1) atom.