# generated using pymatgen data_Sc5Co18TcP12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.71903584 _cell_length_b 11.71903584 _cell_length_c 3.58981330 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.81667654 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Co18TcP12 _chemical_formula_sum 'Sc5 Co18 Tc1 P12' _cell_volume 427.74561528 _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 0.66530009 0.33366422 0.00000000 1.0 Sc Sc1 1 0.33366422 0.66530009 0.00000000 1.0 Sc Sc2 1 0.18279667 0.18279667 0.50000000 1.0 Sc Sc3 1 0.81425122 0.99980679 0.50000000 1.0 Sc Sc4 1 0.99980679 0.81425122 0.50000000 1.0 Co Co5 1 0.44776393 0.99851156 0.00000000 1.0 Co Co6 1 0.99851156 0.44776393 0.00000000 1.0 Co Co7 1 0.82207998 0.19855723 0.00000000 1.0 Co Co8 1 0.80543653 0.62739240 0.00000000 1.0 Co Co9 1 0.37642679 0.17713870 0.00000000 1.0 Co Co10 1 0.19855723 0.82207998 0.00000000 1.0 Co Co11 1 0.62739240 0.80543653 0.00000000 1.0 Co Co12 1 0.17713870 0.37642679 0.00000000 1.0 Co Co13 1 0.64326534 0.12555297 0.50000000 1.0 Co Co14 1 0.87147211 0.51550751 0.50000000 1.0 Co Co15 1 0.48199947 0.35506111 0.50000000 1.0 Co Co16 1 0.12555297 0.64326534 0.50000000 1.0 Co Co17 1 0.51550751 0.87147211 0.50000000 1.0 Co Co18 1 0.35506111 0.48199947 0.50000000 1.0 Co Co19 1 0.71979307 0.71979307 0.50000000 1.0 Co Co20 1 0.28492183 0.99993667 0.50000000 1.0 Co Co21 1 0.99993667 0.28492183 0.50000000 1.0 Co Co22 1 0.00231163 0.00231163 0.00000000 1.0 Tc Tc23 1 0.55258794 0.55258794 0.00000000 1.0 P P24 1 0.35790060 0.35790060 0.00000000 1.0 P P25 1 0.63733521 0.00086822 0.00000000 1.0 P P26 1 0.00086822 0.63733521 0.00000000 1.0 P P27 1 0.83094758 0.31457857 0.50000000 1.0 P P28 1 0.68528314 0.51790232 0.50000000 1.0 P P29 1 0.48331812 0.16684933 0.50000000 1.0 P P30 1 0.31457857 0.83094758 0.50000000 1.0 P P31 1 0.51790232 0.68528314 0.50000000 1.0 P P32 1 0.16684933 0.48331812 0.50000000 1.0 P P33 1 0.82559515 0.82559515 0.00000000 1.0 P P34 1 0.17806706 0.99982094 0.00000000 1.0 P P35 1 0.99982094 0.17806706 0.00000000 1.0