# generated using pymatgen data_ScNb4Co19P12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.62658781 _cell_length_b 11.62658807 _cell_length_c 3.57034998 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000204 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNb4Co19P12 _chemical_formula_sum 'Sc1 Nb4 Co19 P12' _cell_volume 417.97083021 _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 Sc Sc0 1 0.33333300 0.66666700 0.50000000 1.0 Nb Nb1 1 0.66666700 0.33333300 0.50000000 1.0 Nb Nb2 1 0.81898079 0.99951703 0.00000000 1.0 Nb Nb3 1 0.00048297 0.81946276 0.00000000 1.0 Nb Nb4 1 0.18053724 0.18101921 0.00000000 1.0 Co Co5 1 0.62616293 0.80411110 0.50000000 1.0 Co Co6 1 0.19588890 0.82205183 0.50000000 1.0 Co Co7 1 0.17794817 0.37383707 0.50000000 1.0 Co Co8 1 0.37710150 0.18136272 0.50000000 1.0 Co Co9 1 0.80426122 0.62289850 0.50000000 1.0 Co Co10 1 0.81863728 0.19573878 0.50000000 1.0 Co Co11 1 0.28228631 0.00082366 0.00000000 1.0 Co Co12 1 0.99917634 0.28146165 0.00000000 1.0 Co Co13 1 0.71853835 0.71771369 0.00000000 1.0 Co Co14 1 0.44776243 0.99985961 0.50000000 1.0 Co Co15 1 0.00014039 0.44790282 0.50000000 1.0 Co Co16 1 0.55209718 0.55223757 0.50000000 1.0 Co Co17 1 0.51834546 0.87521001 0.00000000 1.0 Co Co18 1 0.12478999 0.64313545 0.00000000 1.0 Co Co19 1 0.35686455 0.48165454 0.00000000 1.0 Co Co20 1 0.48452421 0.35889038 0.00000000 1.0 Co Co21 1 0.87436717 0.51547579 0.00000000 1.0 Co Co22 1 0.64110962 0.12563283 0.00000000 1.0 Co Co23 1 0.00000000 0.00000000 0.50000000 1.0 P P24 1 0.17728239 0.00119774 0.50000000 1.0 P P25 1 0.99880226 0.17608465 0.50000000 1.0 P P26 1 0.82391535 0.82271761 0.50000000 1.0 P P27 1 0.51783520 0.68532524 0.00000000 1.0 P P28 1 0.31467476 0.83251096 0.00000000 1.0 P P29 1 0.16748904 0.48216480 0.00000000 1.0 P P30 1 0.48300582 0.16865750 0.00000000 1.0 P P31 1 0.68565167 0.51699418 0.00000000 1.0 P P32 1 0.83134250 0.31434833 0.00000000 1.0 P P33 1 0.63881167 0.99901222 0.50000000 1.0 P P34 1 0.00098778 0.63979944 0.50000000 1.0 P P35 1 0.36020056 0.36118833 0.50000000 1.0