# generated using pymatgen data_HfSc3(Co5P3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56449273 _cell_length_b 10.05394508 _cell_length_c 11.52626715 _cell_angle_alpha 90.02719308 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSc3(Co5P3)4 _chemical_formula_sum 'Hf1 Sc3 Co20 P12' _cell_volume 413.06925768 _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 Hf Hf0 1 0.25000000 0.57954877 0.70204790 1.0 Sc Sc1 1 0.25000000 0.91994493 0.20189516 1.0 Sc Sc2 1 0.75000000 0.41990048 0.29801648 1.0 Sc Sc3 1 0.75000000 0.08009640 0.79781026 1.0 Co Co4 1 0.25000000 0.71396863 0.99010867 1.0 Co Co5 1 0.25000000 0.78522344 0.49080561 1.0 Co Co6 1 0.75000000 0.28604634 0.00866886 1.0 Co Co7 1 0.75000000 0.21400884 0.50962993 1.0 Co Co8 1 0.25000000 0.40840258 0.48625536 1.0 Co Co9 1 0.25000000 0.09302307 0.98508360 1.0 Co Co10 1 0.75000000 0.59319659 0.51688598 1.0 Co Co11 1 0.75000000 0.90652401 0.01459434 1.0 Co Co12 1 0.25000000 0.22283141 0.17555954 1.0 Co Co13 1 0.25000000 0.27750217 0.67600966 1.0 Co Co14 1 0.75000000 0.77557024 0.82359196 1.0 Co Co15 1 0.75000000 0.72245614 0.32504571 1.0 Co Co16 1 0.25000000 0.88122227 0.70032498 1.0 Co Co17 1 0.25000000 0.61801350 0.19984741 1.0 Co Co18 1 0.75000000 0.11797448 0.29996226 1.0 Co Co19 1 0.75000000 0.38393296 0.79890414 1.0 Co Co20 1 0.25000000 0.46527472 0.93120463 1.0 Co Co21 1 0.25000000 0.03523429 0.43237680 1.0 Co Co22 1 0.75000000 0.53513191 0.06744926 1.0 Co Co23 1 0.75000000 0.96471408 0.56797684 1.0 P P24 1 0.25000000 0.42110339 0.11617562 1.0 P P25 1 0.25000000 0.07879599 0.61646769 1.0 P P26 1 0.75000000 0.57909732 0.88385259 1.0 P P27 1 0.75000000 0.92132918 0.38360112 1.0 P P28 1 0.25000000 0.26485514 0.86633436 1.0 P P29 1 0.25000000 0.23515825 0.36629977 1.0 P P30 1 0.75000000 0.73473704 0.13426833 1.0 P P31 1 0.75000000 0.76557598 0.63368610 1.0 P P32 1 0.25000000 0.59899099 0.39004188 1.0 P P33 1 0.25000000 0.90134021 0.89073404 1.0 P P34 1 0.75000000 0.40027433 0.60919372 1.0 P P35 1 0.75000000 0.09899995 0.10928543 1.0