# generated using pymatgen data_Ca4Al51Cr7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.17558636 _cell_length_b 10.17560225 _cell_length_c 11.36668768 _cell_angle_alpha 90.00004952 _cell_angle_beta 90.00000481 _cell_angle_gamma 119.99988551 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4Al51Cr7 _chemical_formula_sum 'Ca4 Al51 Cr7' _cell_volume 1019.25916842 _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 Ca Ca0 1 0.33333102 0.66666419 0.58487762 1.0 Ca Ca1 1 0.33333260 0.66666573 0.90246421 1.0 Ca Ca2 1 0.66666460 0.33333349 0.41510299 1.0 Ca Ca3 1 0.66666594 0.33333389 0.09755094 1.0 Al Al4 1 0.57783652 0.42216070 0.65240087 1.0 Al Al5 1 0.57783803 0.15567758 0.65240184 1.0 Al Al6 1 0.84432294 0.42216070 0.65240133 1.0 Al Al7 1 0.09049677 0.90950342 0.17261867 1.0 Al Al8 1 0.09049601 0.18099171 0.17261901 1.0 Al Al9 1 0.81900891 0.90950479 0.17261819 1.0 Al Al10 1 0.84647760 0.15352438 0.04422158 1.0 Al Al11 1 0.84647632 0.69295408 0.04422054 1.0 Al Al12 1 0.30704538 0.15352393 0.04422102 1.0 Al Al13 1 0.24220913 0.75778959 0.14432912 1.0 Al Al14 1 0.24221002 0.48441727 0.14433000 1.0 Al Al15 1 0.51558050 0.75778847 0.14432875 1.0 Al Al16 1 0.09160960 0.90839444 0.60276663 1.0 Al Al17 1 0.09160502 0.18321628 0.60276690 1.0 Al Al18 1 0.81678623 0.90839363 0.60276499 1.0 Al Al19 1 0.15351668 0.84648334 0.95578295 1.0 Al Al20 1 0.15351680 0.30703247 0.95578356 1.0 Al Al21 1 0.69296325 0.84648219 0.95578649 1.0 Al Al22 1 0.75778980 0.24221087 0.85567507 1.0 Al Al23 1 0.75778840 0.51558116 0.85567451 1.0 Al Al24 1 0.48441871 0.24221130 0.85567424 1.0 Al Al25 1 0.42215786 0.57783992 0.34758133 1.0 Al Al26 1 0.42215688 0.84431705 0.34758088 1.0 Al Al27 1 0.15568190 0.57784155 0.34758036 1.0 Al Al28 1 0.49999901 0.49999921 0.00000563 1.0 Al Al29 1 0.49999957 0.00000033 0.00000532 1.0 Al Al30 1 -0.00000036 0.49999955 0.00000613 1.0 Al Al31 1 0.90949941 0.09050035 0.82738580 1.0 Al Al32 1 0.90950111 0.81900105 0.82738681 1.0 Al Al33 1 0.18100062 0.09050028 0.82738582 1.0 Al Al34 1 0.90839876 0.09160926 0.39723174 1.0 Al Al35 1 0.90839827 0.81678922 0.39722787 1.0 Al Al36 1 0.18321190 0.09160338 0.39722811 1.0 Al Al37 1 0.63994876 0.99999802 0.50000438 1.0 Al Al38 1 0.00000421 0.63995094 0.50000223 1.0 Al Al39 1 0.36004922 0.36005007 0.50000426 1.0 Al Al40 1 0.36004829 0.99999747 0.50000463 1.0 Al Al41 1 0.63994735 0.63994958 0.50000319 1.0 Al Al42 1 0.00000416 0.36005359 0.50000445 1.0 Al Al43 1 0.33008385 0.39581668 0.75512637 1.0 Al Al44 1 0.60418693 0.93426932 0.75512733 1.0 Al Al45 1 0.06573379 0.66991753 0.75512743 1.0 Al Al46 1 0.06573041 0.39581213 0.75512655 1.0 Al Al47 1 0.33008274 0.93426725 0.75512718 1.0 Al Al48 1 0.60418252 0.66991656 0.75512694 1.0 Al Al49 1 0.93424885 0.33008778 0.24487385 1.0 Al Al50 1 0.66991406 0.60416468 0.24487275 1.0 Al Al51 1 0.39583343 0.06574887 0.24487254 1.0 Al Al52 1 0.39584113 0.33008372 0.24487299 1.0 Al Al53 1 0.93425143 0.60416506 0.24487190 1.0 Al Al54 1 0.66991516 0.06574973 0.24487285 1.0 Cr Cr55 1 0.00000163 0.00000110 -0.00000362 1.0 Cr Cr56 1 0.16929407 0.83070638 0.34578377 1.0 Cr Cr57 1 0.16929319 0.33858599 0.34578621 1.0 Cr Cr58 1 0.66141335 0.83070740 0.34578478 1.0 Cr Cr59 1 0.83070906 0.16929135 0.65421375 1.0 Cr Cr60 1 0.83071013 0.66141929 0.65421309 1.0 Cr Cr61 1 0.33858156 0.16929077 0.65421237 1.0