# generated using pymatgen data_HfSc(Co5P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56844426 _cell_length_b 10.03708743 _cell_length_c 11.53067865 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSc(Co5P3)2 _chemical_formula_sum 'Hf2 Sc2 Co20 P12' _cell_volume 412.99186156 _cell_formula_units_Z 2 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 Hf Hf0 1 0.25000000 0.57917226 0.70226359 1.0 Hf Hf1 1 0.25000000 0.92082774 0.20226359 1.0 Sc Sc2 1 0.75000000 0.42074009 0.29742613 1.0 Sc Sc3 1 0.75000000 0.07925991 0.79742613 1.0 Co Co4 1 0.25000000 0.71490336 0.99105954 1.0 Co Co5 1 0.25000000 0.78509664 0.49105954 1.0 Co Co6 1 0.75000000 0.28593845 0.00837764 1.0 Co Co7 1 0.75000000 0.21406155 0.50837764 1.0 Co Co8 1 0.25000000 0.40852901 0.48640794 1.0 Co Co9 1 0.25000000 0.09147099 0.98640794 1.0 Co Co10 1 0.75000000 0.59328201 0.51641878 1.0 Co Co11 1 0.75000000 0.90671799 0.01641878 1.0 Co Co12 1 0.25000000 0.22392522 0.17573193 1.0 Co Co13 1 0.25000000 0.27607578 0.67573193 1.0 Co Co14 1 0.75000000 0.77479151 0.82456248 1.0 Co Co15 1 0.75000000 0.72520849 0.32456248 1.0 Co Co16 1 0.25000000 0.88009203 0.70056687 1.0 Co Co17 1 0.25000000 0.61990797 0.20056687 1.0 Co Co18 1 0.75000000 0.11749375 0.29859854 1.0 Co Co19 1 0.75000000 0.38250625 0.79859854 1.0 Co Co20 1 0.25000000 0.46438744 0.93130216 1.0 Co Co21 1 0.25000000 0.03561256 0.43130216 1.0 Co Co22 1 0.75000000 0.53613379 0.06737048 1.0 Co Co23 1 0.75000000 0.96386621 0.56737048 1.0 P P24 1 0.25000000 0.42266161 0.11634461 1.0 P P25 1 0.25000000 0.07733839 0.61634461 1.0 P P26 1 0.75000000 0.57752286 0.88352924 1.0 P P27 1 0.75000000 0.92247714 0.38352924 1.0 P P28 1 0.25000000 0.26381869 0.86619196 1.0 P P29 1 0.25000000 0.23618131 0.36619196 1.0 P P30 1 0.75000000 0.73502581 0.13442389 1.0 P P31 1 0.75000000 0.76497419 0.63442389 1.0 P P32 1 0.25000000 0.59921287 0.39029996 1.0 P P33 1 0.25000000 0.90078713 0.89029996 1.0 P P34 1 0.75000000 0.39971748 0.60912427 1.0 P P35 1 0.75000000 0.10028252 0.10912427 1.0