data_TmAlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.38
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   60.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmAlCo
_chemical_formula_sum   'Tm4 Al4 Co4'
_cell_volume   205.3
_cell_formula_units_Z   4
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  Tm0  1  0.67  0.0  0.05  1.0
  Tm  Tm1  1  0.66  0.0  0.12  1.0
  Tm  Tm2  1  0.72  0.0  0.12  1.0
  Tm  Tm3  1  0.7  0.0  0.05  1.0
  Al  Al4  1  0.11  0.0  0.09  1.0
  Al  Al5  1  0.27  0.0  0.09  1.0
  Al  Al6  1  0.0  0.33  0.36  1.0
  Al  Al7  1  0.0  0.67  0.36  1.0
  Co  Co8  1  0.0  0.0  0.61  1.0
  Co  Co9  1  0.19  0.74  0.73  1.0
  Co  Co10  1  0.19  0.26  0.73  1.0
  Co  Co11  1  0.19  0.0  0.59  1.0

data_TmAlCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmAlCo
_chemical_formula_sum   'Tm4 Al4 Co4'
_cell_volume   205.3
_cell_formula_units_Z   4
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  Tm0  1  0.0  0.88  0.28  1.0
  Tm  Tm1  1  0.0  0.88  0.34  1.0
  Tm  Tm2  1  0.0  0.95  0.3  1.0
  Tm  Tm3  1  0.0  0.95  0.33  1.0
  Al  Al4  1  0.0  0.91  0.73  1.0
  Al  Al5  1  0.0  0.91  0.89  1.0
  Al  Al6  1  0.33  0.64  0.0  1.0
  Al  Al7  1  0.67  0.64  -0.0  1.0
  Co  Co8  1  0.0  0.39  0.0  1.0
  Co  Co9  1  0.0  0.41  0.81  1.0
  Co  Co10  1  0.26  0.27  0.81  1.0
  Co  Co11  1  0.74  0.27  0.81  1.0

Tm Tm Tm Tm Al Al Al Al Co Co Co Co
TmCoAl crystallizes in the triclinic P1 space group. There are four inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a water-like geometry to one Tm(2) and one Tm(4) atom. The Tm(1)-Tm(2) bond length is 0.40 Å. The Tm(1)-Tm(4) bond length is 0.26 Å. In the second Tm site, Tm(2) is bonded in a 3-coordinate geometry to one Tm(1), one Tm(3), and one Al(2) atom. The Tm(2)-Tm(3) bond length is 0.52 Å. The Tm(2)-Al(2) bond length is 3.27 Å. In the third Tm site, Tm(3) is bonded in a 1-coordinate geometry to one Tm(2), one Tm(4), and one Al(4) atom. The Tm(3)-Tm(4) bond length is 0.40 Å. The Tm(3)-Al(4) bond length is 2.83 Å. In the fourth Tm site, Tm(4) is bonded in a distorted water-like geometry to one Tm(1) and one Tm(3) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to one Co(4), one Al(3), and one Al(4) atom. The Co(1)-Co(4) bond length is 1.59 Å. The Co(1)-Al(3) bond length is 1.59 Å. The Co(1)-Al(4) bond length is 2.64 Å. In the second Co site, Co(2) is bonded in a distorted single-bond geometry to one Co(4) and one Al(4) atom. The Co(2)-Co(4) bond length is 1.20 Å. The Co(2)-Al(4) bond length is 2.70 Å. In the third Co site, Co(3) is bonded in a 2-coordinate geometry to one Al(1), one Al(2), and one Al(4) atom. The Co(3)-Al(1) bond length is 1.85 Å. The Co(3)-Al(2) bond length is 1.85 Å. The Co(3)-Al(4) bond length is 2.65 Å. In the fourth Co site, Co(4) is bonded in a 2-coordinate geometry to one Co(1) and one Co(2) atom. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 3-coordinate geometry to one Co(3), one Al(2), and one Al(4) atom. The Al(1)-Al(2) bond length is 1.33 Å. The Al(1)-Al(4) bond length is 1.86 Å. In the second Al site, Al(2) is bonded in a 2-coordinate geometry to one Tm(2), one Co(3), and one Al(1) atom. In the third Al site, Al(3) is bonded in a distorted single-bond geometry to one Co(1) and one Al(4) atom. The Al(3)-Al(4) bond length is 1.83 Å. In the fourth Al site, Al(4) is bonded in a 6-coordinate geometry to one Tm(3), one Co(1), one Co(2), one Co(3), one Al(1), and one Al(3) atom.