# generated using pymatgen data_ScCo4P3W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61603266 _cell_length_b 10.22053076 _cell_length_c 11.66490574 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCo4P3W _chemical_formula_sum 'Sc4 Co16 P12 W4' _cell_volume 431.10893925 _cell_formula_units_Z 4 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 0.25000000 0.58218172 0.70469804 1.0 Sc Sc1 1 0.25000000 0.91781828 0.20469804 1.0 Sc Sc2 1 0.75000000 0.41781828 0.29530196 1.0 Sc Sc3 1 0.75000000 0.08218172 0.79530196 1.0 Co Co4 1 0.25000000 0.40683285 0.48623343 1.0 Co Co5 1 0.25000000 0.09316715 0.98623343 1.0 Co Co6 1 0.75000000 0.59316715 0.51376657 1.0 Co Co7 1 0.75000000 0.90683285 0.01376657 1.0 Co Co8 1 0.25000000 0.22194288 0.17824377 1.0 Co Co9 1 0.25000000 0.27805812 0.67824377 1.0 Co Co10 1 0.75000000 0.77805812 0.82175623 1.0 Co Co11 1 0.75000000 0.72194188 0.32175623 1.0 Co Co12 1 0.25000000 0.88853847 0.70113262 1.0 Co Co13 1 0.25000000 0.61146153 0.20113262 1.0 Co Co14 1 0.75000000 0.11146153 0.29886738 1.0 Co Co15 1 0.75000000 0.38853847 0.79886738 1.0 Co Co16 1 0.25000000 0.46552802 0.93240895 1.0 Co Co17 1 0.25000000 0.03447198 0.43240895 1.0 Co Co18 1 0.75000000 0.53447198 0.06759105 1.0 Co Co19 1 0.75000000 0.96552802 0.56759105 1.0 P P20 1 0.25000000 0.42001904 0.11845788 1.0 P P21 1 0.25000000 0.07998096 0.61845788 1.0 P P22 1 0.75000000 0.57998096 0.88154212 1.0 P P23 1 0.75000000 0.92001904 0.38154212 1.0 P P24 1 0.25000000 0.26464563 0.86341745 1.0 P P25 1 0.25000000 0.23535437 0.36341745 1.0 P P26 1 0.75000000 0.73535437 0.13658255 1.0 P P27 1 0.75000000 0.76464563 0.63658255 1.0 P P28 1 0.25000000 0.59214046 0.38896449 1.0 P P29 1 0.25000000 0.90785954 0.88896449 1.0 P P30 1 0.75000000 0.40785954 0.61103551 1.0 P P31 1 0.75000000 0.09214046 0.11103551 1.0 W W32 1 0.25000000 0.71056611 0.98781943 1.0 W W33 1 0.25000000 0.78943389 0.48781943 1.0 W W34 1 0.75000000 0.28943389 0.01218057 1.0 W W35 1 0.75000000 0.21056611 0.51218057 1.0