# generated using pymatgen
data_ThAl2Fe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19482182
_cell_length_b   5.19482182
_cell_length_c   4.13807167
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.22184231
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThAl2Fe3
_chemical_formula_sum   'Th1 Al2 Fe3'
_cell_volume   99.30230124
_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
  Th  Th0  1  0.50000000  0.50000000  -0.00000000  1.0
  Al  Al1  1  -0.00000000  0.50000000  0.50000000  1.0
  Al  Al2  1  0.50000000  0.00000000  0.50000000  1.0
  Fe  Fe3  1  0.15826446  0.84173554  -0.00000000  1.0
  Fe  Fe4  1  0.84173554  0.15826446  0.00000000  1.0
  Fe  Fe5  1  -0.00000000  0.00000000  0.50000000  1.0