# generated using pymatgen data_Al45Cr7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.48697504 _cell_length_b 10.84483462 _cell_length_c 10.87538299 _cell_angle_alpha 106.39065754 _cell_angle_beta 110.13397648 _cell_angle_gamma 90.00000195 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al45Cr7 _chemical_formula_sum 'Al45 Cr7' _cell_volume 790.73389370 _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 Al Al0 1 0.50000000 0.50000000 -0.00000000 1.0 Al Al1 1 0.61505129 0.22801904 0.23010358 1.0 Al Al2 1 0.38494871 0.77198096 0.76989642 1.0 Al Al3 1 0.29183855 0.51372650 0.58367710 1.0 Al Al4 1 0.70816145 0.48627350 0.41632290 1.0 Al Al5 1 0.37404208 0.36652928 0.74808316 1.0 Al Al6 1 0.62595692 0.63347072 0.25191684 1.0 Al Al7 1 0.52262047 0.75683879 0.04524095 1.0 Al Al8 1 0.47737953 0.24316121 0.95475905 1.0 Al Al9 1 0.08050231 0.44058067 0.16100362 1.0 Al Al10 1 0.91949769 0.55941933 0.83899638 1.0 Al Al11 1 0.12876809 0.11294334 0.25753717 1.0 Al Al12 1 0.87123191 0.88705666 0.74246283 1.0 Al Al13 1 0.08943951 0.84478046 0.17888002 1.0 Al Al14 1 0.91056049 0.15521954 0.82112098 1.0 Al Al15 1 0.22425864 0.99175825 0.44851627 1.0 Al Al16 1 0.77574136 0.00824175 0.55148373 1.0 Al Al17 1 0.99446244 0.35484095 0.36284563 1.0 Al Al18 1 0.63161881 0.64515905 0.63715437 1.0 Al Al19 1 0.00553756 0.64515905 0.63715437 1.0 Al Al20 1 0.36838119 0.35484095 0.36284563 1.0 Al Al21 1 0.75283887 0.99071461 0.13797263 1.0 Al Al22 1 0.61486724 0.00928539 0.86202737 1.0 Al Al23 1 0.24716113 0.00928539 0.86202737 1.0 Al Al24 1 0.38513276 0.99071461 0.13797263 1.0 Al Al25 1 0.77587103 0.79454273 0.92778596 1.0 Al Al26 1 0.84808406 0.20545727 0.07221404 1.0 Al Al27 1 0.22412897 0.20545727 0.07221404 1.0 Al Al28 1 0.15191594 0.79454273 0.92778596 1.0 Al Al29 1 0.99688403 0.38193209 0.62016525 1.0 Al Al30 1 0.37671878 0.61806791 0.37983475 1.0 Al Al31 1 0.00311597 0.61806791 0.37983475 1.0 Al Al32 1 0.62328122 0.38193209 0.62016525 1.0 Al Al33 1 0.84913625 0.62210115 0.09083454 1.0 Al Al34 1 0.75830071 0.37789885 0.90916546 1.0 Al Al35 1 0.15086375 0.37789885 0.90916546 1.0 Al Al36 1 0.24169929 0.62210115 0.09083454 1.0 Al Al37 1 0.85759404 0.85388103 0.32965580 1.0 Al Al38 1 0.52793823 0.14611897 0.67034420 1.0 Al Al39 1 0.14240596 0.14611897 0.67034420 1.0 Al Al40 1 0.47206177 0.85388103 0.32965580 1.0 Al Al41 1 0.89497464 0.13411440 0.41319031 1.0 Al Al42 1 0.48178434 0.86588560 0.58680969 1.0 Al Al43 1 0.10502536 0.86588560 0.58680969 1.0 Al Al44 1 0.51821566 0.13411440 0.41319031 1.0 Cr Cr45 1 0.00000000 0.00000000 -0.00000000 1.0 Cr Cr46 1 0.25055472 0.23929398 0.50110845 1.0 Cr Cr47 1 0.74944528 0.76070602 0.49889155 1.0 Cr Cr48 1 0.75724472 0.41751196 0.16982752 1.0 Cr Cr49 1 0.58741820 0.58248804 0.83017248 1.0 Cr Cr50 1 0.24275528 0.58248804 0.83017248 1.0 Cr Cr51 1 0.41258180 0.41751196 0.16982752 1.0