# generated using pymatgen
data_Al6Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00096739
_cell_length_b   5.00096614
_cell_length_c   8.97717816
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.39092196
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al6Tc
_chemical_formula_sum   'Al12 Tc2'
_cell_volume   222.11290892
_cell_formula_units_Z   2
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
  Al  Al0  1  0.32421934  0.67578066  0.00000000  1.0
  Al  Al1  1  0.67578066  0.32421934  0.50000000  1.0
  Al  Al2  1  0.67578066  0.32421934  0.00000000  1.0
  Al  Al3  1  0.32421934  0.67578066  0.50000000  1.0
  Al  Al4  1  0.13437207  0.13437207  0.60062250  1.0
  Al  Al5  1  0.86562793  0.86562793  0.10062250  1.0
  Al  Al6  1  0.13437207  0.13437207  0.89937750  1.0
  Al  Al7  1  0.86562793  0.86562793  0.39937750  1.0
  Al  Al8  1  0.38968594  0.02675607  0.25000000  1.0
  Al  Al9  1  0.61031406  0.97324393  0.75000000  1.0
  Al  Al10  1  0.02675607  0.38968594  0.25000000  1.0
  Al  Al11  1  0.97324393  0.61031406  0.75000000  1.0
  Tc  Tc12  1  0.54245514  0.54245514  0.25000000  1.0
  Tc  Tc13  1  0.45754486  0.45754486  0.75000000  1.0