data_TmNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmNb
_chemical_formula_sum   'Tm1 Nb1'
_cell_volume   45.24
_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
  Tm  Tm1  1  0.52  0.52  0.45  1.0
  Nb  Nb0  1  0.0  0.0  0.0  1.0

data_TmNb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TmNb
_chemical_formula_sum   'Tm2 Nb2'
_cell_volume   90.47
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Tm0  2  0.02  0.5  0.45  1.0
  Nb  Nb1  2  0.0  0.0  0.0  1.0

Tm Nb
TmNb is Tetraauricupride structured and crystallizes in the monoclinic Cm space group. Tm(1) is bonded to four equivalent Tm(1) and eight equivalent Nb(1) atoms to form TmTm4Nb8 cuboctahedra that share corners with twelve equivalent Tm(1)Tm4Nb8 cuboctahedra, edges with eight equivalent Tm(1)Tm4Nb8 cuboctahedra, edges with sixteen equivalent Nb(1)Tm8Nb4 cuboctahedra, faces with eight equivalent Nb(1)Tm8Nb4 cuboctahedra, and faces with ten equivalent Tm(1)Tm4Nb8 cuboctahedra. All Tm(1)-Tm(1) bond lengths are 3.04 Å. There are a spread of Tm(1)-Nb(1) bond distances ranging from 3.00-3.51 Å. Nb(1) is bonded to eight equivalent Tm(1) and four equivalent Nb(1) atoms to form NbTm8Nb4 cuboctahedra that share corners with twelve equivalent Nb(1)Tm8Nb4 cuboctahedra, edges with eight equivalent Nb(1)Tm8Nb4 cuboctahedra, edges with sixteen equivalent Tm(1)Tm4Nb8 cuboctahedra, faces with eight equivalent Tm(1)Tm4Nb8 cuboctahedra, and faces with ten equivalent Nb(1)Tm8Nb4 cuboctahedra. All Nb(1)-Nb(1) bond lengths are 3.04 Å.