# generated using pymatgen data_Ho8Fe68C3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.27499500 _cell_length_b 8.54454227 _cell_length_c 14.68028721 _cell_angle_alpha 89.72896528 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho8Fe68C3 _chemical_formula_sum 'Ho8 Fe68 C3' _cell_volume 1037.97342841 _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 Ho Ho0 1 0.25000000 0.50001600 0.16668000 1.0 Ho Ho1 1 0.25000000 0.99994800 0.66672100 1.0 Ho Ho2 1 0.75000000 0.00145300 0.33387600 1.0 Ho Ho3 1 0.75000000 0.49989700 0.83494800 1.0 Ho Ho4 1 0.75000000 0.00014600 0.99435600 1.0 Ho Ho5 1 0.75000000 0.49051200 0.49672700 1.0 Ho Ho6 1 0.25000000 0.00000800 0.99999100 1.0 Ho Ho7 1 0.25000000 0.50054700 0.50009800 1.0 Fe Fe8 1 0.48208400 0.49850600 0.33270100 1.0 Fe Fe9 1 0.48395100 0.99999500 0.83407100 1.0 Fe Fe10 1 0.48250600 0.74834500 0.08287500 1.0 Fe Fe11 1 0.48285800 0.24816200 0.58299900 1.0 Fe Fe12 1 0.48280200 0.25104300 0.08288300 1.0 Fe Fe13 1 0.48149400 0.75179400 0.58386600 1.0 Fe Fe14 1 0.51816700 0.99984200 0.16590300 1.0 Fe Fe15 1 0.51790600 0.50041400 0.66612100 1.0 Fe Fe16 1 0.51851300 0.74955100 0.41681000 1.0 Fe Fe17 1 0.51550200 0.24939200 0.91684600 1.0 Fe Fe18 1 0.51557600 0.25002100 0.41671900 1.0 Fe Fe19 1 0.51523000 0.75047200 0.91676400 1.0 Fe Fe20 1 0.98183300 0.99984200 0.16590300 1.0 Fe Fe21 1 0.98209400 0.50041400 0.66612100 1.0 Fe Fe22 1 0.98148700 0.74955100 0.41681000 1.0 Fe Fe23 1 0.98449800 0.24939200 0.91684600 1.0 Fe Fe24 1 0.98442400 0.25002100 0.41671900 1.0 Fe Fe25 1 0.98477000 0.75047200 0.91676400 1.0 Fe Fe26 1 0.01791600 0.49850600 0.33270100 1.0 Fe Fe27 1 0.01604900 0.99999500 0.83407100 1.0 Fe Fe28 1 0.01749400 0.74834500 0.08287500 1.0 Fe Fe29 1 0.01714200 0.24816200 0.58299900 1.0 Fe Fe30 1 0.01719800 0.25104300 0.08288300 1.0 Fe Fe31 1 0.01850600 0.75179400 0.58386600 1.0 Fe Fe32 1 0.75000000 0.65146200 0.02034300 1.0 Fe Fe33 1 0.75000000 0.14850400 0.52120000 1.0 Fe Fe34 1 0.75000000 0.21454000 0.16365600 1.0 Fe Fe35 1 0.75000000 0.71491700 0.66364300 1.0 Fe Fe36 1 0.75000000 0.63754900 0.30996300 1.0 Fe Fe37 1 0.75000000 0.14421800 0.81439600 1.0 Fe Fe38 1 0.75000000 0.34923800 0.02034000 1.0 Fe Fe39 1 0.75000000 0.85364600 0.52618200 1.0 Fe Fe40 1 0.75000000 0.78523600 0.16341300 1.0 Fe Fe41 1 0.75000000 0.28530100 0.66358700 1.0 Fe Fe42 1 0.75000000 0.35575700 0.31396300 1.0 Fe Fe43 1 0.75000000 0.85490900 0.81442300 1.0 Fe Fe44 1 0.25000000 0.84940900 0.47867900 1.0 Fe Fe45 1 0.25000000 0.34928800 0.97966800 1.0 Fe Fe46 1 0.25000000 0.29435000 0.33577400 1.0 Fe Fe47 1 0.25000000 0.79485900 0.83565500 1.0 Fe Fe48 1 0.25000000 0.85628500 0.18403300 1.0 Fe Fe49 1 0.25000000 0.35634900 0.68429500 1.0 Fe Fe50 1 0.25000000 0.15089000 0.47998800 1.0 Fe Fe51 1 0.25000000 0.65087600 0.97944100 1.0 Fe Fe52 1 0.25000000 0.70684500 0.33617600 1.0 Fe Fe53 1 0.25000000 0.20492800 0.83557900 1.0 Fe Fe54 1 0.25000000 0.14325900 0.18457200 1.0 Fe Fe55 1 0.25000000 0.64301600 0.68490100 1.0 Fe Fe56 1 0.60534200 0.49916800 0.16563000 1.0 Fe Fe57 1 0.60518700 0.00039100 0.66761600 1.0 Fe Fe58 1 0.39368200 0.99981000 0.33308800 1.0 Fe Fe59 1 0.39380800 0.50005500 0.83286600 1.0 Fe Fe60 1 0.10631800 0.99981000 0.33308800 1.0 Fe Fe61 1 0.10619200 0.50005500 0.83286600 1.0 Fe Fe62 1 0.89465800 0.49916800 0.16563000 1.0 Fe Fe63 1 0.89481300 0.00039100 0.66761600 1.0 Fe Fe64 1 0.49799100 0.00020100 0.50090000 1.0 Fe Fe65 1 0.49994300 0.50003900 0.99989200 1.0 Fe Fe66 1 0.49834400 0.25091400 0.24947500 1.0 Fe Fe67 1 0.49815500 0.75174500 0.75005500 1.0 Fe Fe68 1 0.49651700 0.74754200 0.24925600 1.0 Fe Fe69 1 0.49787700 0.24903200 0.74958900 1.0 Fe Fe70 1 0.00200900 0.00020100 0.50090000 1.0 Fe Fe71 1 0.00005700 0.50003900 0.99989200 1.0 Fe Fe72 1 0.00165600 0.25091400 0.24947500 1.0 Fe Fe73 1 0.00184500 0.75174500 0.75005500 1.0 Fe Fe74 1 0.00348300 0.74754200 0.24925600 1.0 Fe Fe75 1 0.00212300 0.24903200 0.74958900 1.0 C C76 1 0.75000000 0.99979100 0.16328500 1.0 C C77 1 0.75000000 0.50003400 0.66403700 1.0 C C78 1 0.75000000 0.74564700 0.41806300 1.0