# generated using pymatgen data_Sc3Co7(NiP3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60290569 _cell_length_b 10.26231113 _cell_length_c 11.86527288 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Co7(NiP3)2 _chemical_formula_sum 'Sc6 Co14 Ni4 P12' _cell_volume 438.70825072 _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 Sc Sc0 1 0.00000000 0.50000000 0.52365398 1.0 Sc Sc1 1 0.50000000 0.00000000 0.47634602 1.0 Sc Sc2 1 0.50000000 0.81759440 0.20648622 1.0 Sc Sc3 1 0.50000000 0.18240560 0.20648622 1.0 Sc Sc4 1 0.00000000 0.68240560 0.79351378 1.0 Sc Sc5 1 0.00000000 0.31759440 0.79351378 1.0 Co Co6 1 0.00000000 0.50000000 0.98581536 1.0 Co Co7 1 0.50000000 0.00000000 0.01418464 1.0 Co Co8 1 0.50000000 0.33399526 0.99563229 1.0 Co Co9 1 0.50000000 0.66600474 0.99563229 1.0 Co Co10 1 0.00000000 0.16600474 0.00436771 1.0 Co Co11 1 0.00000000 0.83399526 0.00436771 1.0 Co Co12 1 0.50000000 0.29941877 0.43104163 1.0 Co Co13 1 0.50000000 0.70058123 0.43104163 1.0 Co Co14 1 0.00000000 0.20058123 0.56895837 1.0 Co Co15 1 0.00000000 0.79941877 0.56895837 1.0 Co Co16 1 0.50000000 0.87807362 0.70978546 1.0 Co Co17 1 0.50000000 0.12192638 0.70978546 1.0 Co Co18 1 0.00000000 0.62192638 0.29021454 1.0 Co Co19 1 0.00000000 0.37807362 0.29021454 1.0 Ni Ni20 1 0.50000000 0.50000000 0.16327080 1.0 Ni Ni21 1 0.00000000 0.00000000 0.83672920 1.0 Ni Ni22 1 0.50000000 0.50000000 0.70236161 1.0 Ni Ni23 1 0.00000000 0.00000000 0.29763839 1.0 P P24 1 0.50000000 0.50000000 0.88062085 1.0 P P25 1 0.00000000 0.00000000 0.11937915 1.0 P P26 1 0.50000000 0.50000000 0.35289008 1.0 P P27 1 0.00000000 0.00000000 0.64710992 1.0 P P28 1 0.50000000 0.31338362 0.61661658 1.0 P P29 1 0.50000000 0.68661638 0.61661658 1.0 P P30 1 0.00000000 0.18661638 0.38338342 1.0 P P31 1 0.00000000 0.81338362 0.38338342 1.0 P P32 1 0.50000000 0.84254669 0.89177742 1.0 P P33 1 0.50000000 0.15745331 0.89177742 1.0 P P34 1 0.00000000 0.65745331 0.10822258 1.0 P P35 1 0.00000000 0.34254669 0.10822258 1.0