# generated using pymatgen
data_Tm(AlFe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53202783
_cell_length_b   6.54817092
_cell_length_c   6.54832923
_cell_angle_alpha   135.55593064
_cell_angle_beta   98.47043344
_cell_angle_gamma   97.98815935
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm(AlFe)6
_chemical_formula_sum   'Tm1 Al6 Fe6'
_cell_volume   181.53246634
_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  Tm0  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Al  Al1  1  0.65366259  0.65381135  0.00017222  1.0
  Al  Al2  1  0.34633741  0.34618865  0.99982778  1.0
  Al  Al3  1  0.33720180  0.00013780  0.33700202  1.0
  Al  Al4  1  0.66279820  0.99986220  0.66299798  1.0
  Al  Al5  1  0.19288113  0.69292439  0.49992036  1.0
  Al  Al6  1  0.80711887  0.30707561  0.50007964  1.0
  Fe  Fe7  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe8  1  0.50000000  -0.00000000  -0.00000000  1.0
  Fe  Fe9  1  -0.00000000  0.50000000  -0.00000000  1.0
  Fe  Fe10  1  -0.00000000  -0.00000000  0.50000000  1.0
  Fe  Fe11  1  0.76076954  0.49995389  0.26078560  1.0
  Fe  Fe12  1  0.23923046  0.50004611  0.73921440  1.0