data_Tm3Al2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.12
_cell_length_b   8.12
_cell_length_c   7.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3Al2
_chemical_formula_sum   'Tm12 Al8'
_cell_volume   494.39
_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  0.06  0.87  1.0
  Tm  Tm1  1  0.06  0.0  0.87  1.0
  Tm  Tm2  1  0.06  0.0  0.62  1.0
  Tm  Tm3  1  0.0  0.06  0.62  1.0
  Tm  Tm4  1  0.84  0.84  0.0  1.0
  Tm  Tm5  1  0.28  0.28  0.0  1.0
  Tm  Tm6  1  0.9  0.22  0.75  1.0
  Tm  Tm7  1  0.22  0.9  0.75  1.0
  Tm  Tm8  1  0.65  0.47  0.0  1.0
  Tm  Tm9  1  0.47  0.65  0.0  1.0
  Tm  Tm10  1  0.71  0.71  0.75  1.0
  Tm  Tm11  1  0.41  0.41  0.75  1.0
  Al  Al12  1  0.97  0.97  0.47  1.0
  Al  Al13  1  0.15  0.15  0.47  1.0
  Al  Al14  1  0.03  0.09  0.28  1.0
  Al  Al15  1  0.09  0.03  0.28  1.0
  Al  Al16  1  0.15  0.15  0.03  1.0
  Al  Al17  1  0.97  0.97  0.03  1.0
  Al  Al18  1  0.03  0.09  0.22  1.0
  Al  Al19  1  0.09  0.03  0.22  1.0

data_Tm3Al2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   11.48
_cell_length_b   11.48
_cell_length_c   7.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tm3Al2
_chemical_formula_sum   'Tm24 Al16'
_cell_volume   988.77
_cell_formula_units_Z   8
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  4  0.03  0.03  0.87  1.0
  Tm  Tm1  4  0.03  0.03  0.62  1.0
  Tm  Tm2  4  0.06  0.16  0.75  1.0
  Tm  Tm3  4  0.06  0.41  -0.0  1.0
  Tm  Tm4  2  0.21  0.5  0.75  1.0
  Tm  Tm5  2  0.28  0.0  -0.0  1.0
  Tm  Tm6  2  0.34  0.5  -0.0  1.0
  Tm  Tm7  2  0.41  0.0  0.75  1.0
  Al  Al8  4  0.06  0.03  0.22  1.0
  Al  Al9  4  0.06  0.03  0.28  1.0
  Al  Al10  2  0.15  0.0  0.03  1.0
  Al  Al11  2  0.15  0.0  0.47  1.0
  Al  Al12  2  0.47  0.5  0.03  1.0
  Al  Al13  2  0.47  0.5  0.47  1.0

Tm Tm Tm Tm Tm Tm Tm Tm Tm Tm Tm Tm Al Al Al Al Al Al Al Al