# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91458374
_cell_length_b   8.42199792
_cell_length_c   50.58158076
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.45416843
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2
_chemical_formula_sum   'Al21 Fe42'
_cell_volume   1621.21674813
_cell_formula_units_Z   21
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  Al1  1  0.142265  0.339714  0.277579  1
  Al  Al2  1  0.994430  0.635392  0.297144  1
  Al  Al3  1  0.855882  0.912646  0.320412  1
  Al  Al4  1  0.715223  0.193938  0.340237  1
  Al  Al5  1  0.577400  0.469202  0.361096  1
  Al  Al6  1  0.439435  0.744883  0.382106  1
  Al  Al7  1  0.300915  0.021824  0.402808  1
  Al  Al8  1  0.162650  0.298197  0.423663  1
  Al  Al9  1  0.024224  0.574837  0.444443  1
  Al  Al10  1  0.885840  0.851412  0.465233  1
  Al  Al11  1  0.747517  0.127889  0.486050  1
  Al  Al12  1  0.609154  0.404447  0.506845  1
  Al  Al13  1  0.470779  0.681003  0.527643  1
  Al  Al14  1  0.332418  0.957517  0.548451  1
  Al  Al15  1  0.193936  0.234322  0.569199  1
  Al  Al16  1  0.055777  0.510519  0.590098  1
  Al  Al17  1  0.917746  0.786360  0.610991  1
  Al  Al18  1  0.778758  0.063999  0.631474  1
  Al  Al19  1  0.640688  0.339969  0.652752  1
  Al  Al20  1  0.498982  0.623654  0.672322  1
  Al  Al21  1  0.359823  0.901798  0.695646  1
  Fe  Fe22  1  0.241442  0.141941  0.312999  1
  Fe  Fe23  1  0.101725  0.420833  0.332237  1
  Fe  Fe24  1  0.375691  0.873449  0.290036  1
  Fe  Fe25  1  0.747438  0.130132  0.285220  1
  Fe  Fe26  1  0.603963  0.416228  0.305712  1
  Fe  Fe27  1  0.467262  0.689572  0.327484  1
  Fe  Fe28  1  0.825277  0.973441  0.374166  1
  Fe  Fe29  1  0.687011  0.249845  0.394929  1
  Fe  Fe30  1  0.964626  0.694832  0.353515  1
  Fe  Fe31  1  0.330356  0.963287  0.348606  1
  Fe  Fe32  1  0.191244  0.241458  0.369070  1
  Fe  Fe33  1  0.053279  0.517106  0.389931  1
  Fe  Fe34  1  0.410395  0.802639  0.436564  1
  Fe  Fe35  1  0.272092  0.079088  0.457376  1
  Fe  Fe36  1  0.548837  0.525961  0.415799  1
  Fe  Fe37  1  0.914717  0.794008  0.410704  1
  Fe  Fe38  1  0.776341  0.070623  0.431490  1
  Fe  Fe39  1  0.638048  0.347042  0.452321  1
  Fe  Fe40  1  0.995332  0.632244  0.498969  1
  Fe  Fe41  1  0.857003  0.908704  0.519783  1
  Fe  Fe42  1  0.133720  0.355662  0.478177  1
  Fe  Fe43  1  0.499652  0.623634  0.473109  1
  Fe  Fe44  1  0.361294  0.900158  0.493912  1
  Fe  Fe45  1  0.222940  0.176694  0.514716  1
  Fe  Fe46  1  0.580243  0.461906  0.561383  1
  Fe  Fe47  1  0.441984  0.738219  0.582213  1
  Fe  Fe48  1  0.718644  0.185256  0.540579  1
  Fe  Fe49  1  0.084543  0.453325  0.535500  1
  Fe  Fe50  1  0.946282  0.729652  0.556332  1
  Fe  Fe51  1  0.807984  0.006022  0.577123  1
  Fe  Fe52  1  0.165015  0.291728  0.623821  1
  Fe  Fe53  1  0.027527  0.566791  0.644918  1
  Fe  Fe54  1  0.303279  0.015382  0.602806  1
  Fe  Fe55  1  0.669352  0.283127  0.597896  1
  Fe  Fe56  1  0.531300  0.559181  0.618835  1
  Fe  Fe57  1  0.391966  0.837586  0.639165  1
  Fe  Fe58  1  0.750210  0.120541  0.688291  1
  Fe  Fe59  1  0.603255  0.414442  0.707980  1
  Fe  Fe60  1  0.888375  0.844796  0.665346  1
  Fe  Fe61  1  0.255568  0.109979  0.659915  1
  Fe  Fe62  1  0.120390  0.380171  0.681438  1
  Fe  Fe63  1  0.981152  0.658885  0.702555  1
