# generated using pymatgen
data_TaAlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90181612
_cell_length_b   4.95050001
_cell_length_c   8.04999300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.33139865
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAlFe
_chemical_formula_sum   'Ta4 Al4 Fe4'
_cell_volume   168.60569041
_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
  Ta  Ta0  1  0.66976200  0.33487400  0.55343800  1.0
  Ta  Ta1  1  0.33378500  0.66689700  0.43016300  1.0
  Ta  Ta2  1  0.33378500  0.66689700  0.06983700  1.0
  Ta  Ta3  1  0.66976200  0.33487400  0.94656200  1.0
  Al  Al4  1  0.98726100  0.99362100  0.49207100  1.0
  Al  Al5  1  0.98726100  0.99362100  0.00792900  1.0
  Al  Al6  1  0.17950600  0.34736500  0.75000000  1.0
  Al  Al7  1  0.17950000  0.83213000  0.75000000  1.0
  Fe  Fe8  1  0.67030200  0.83518000  0.75000000  1.0
  Fe  Fe9  1  0.82406600  0.65213800  0.25000000  1.0
  Fe  Fe10  1  0.82404600  0.17190100  0.25000000  1.0
  Fe  Fe11  1  0.34096300  0.17050200  0.25000000  1.0