# generated using pymatgen data_Sc5Co19(SiP)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.79665030 _cell_length_b 11.79665291 _cell_length_c 3.58657062 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000637 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Co19(SiP)6 _chemical_formula_sum 'Sc5 Co19 Si6 P6' _cell_volume 432.24253060 _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 0.66666700 0.33333300 0.00000000 1.0 Sc Sc1 1 0.33333300 0.66666700 0.00000000 1.0 Sc Sc2 1 0.81601444 0.81601444 0.50000000 1.0 Sc Sc3 1 0.18398556 0.00000000 0.50000000 1.0 Sc Sc4 1 1.00000000 0.18398556 0.50000000 1.0 Co Co5 1 0.87784802 0.35311744 0.50000000 1.0 Co Co6 1 0.64688256 0.52473158 0.50000000 1.0 Co Co7 1 0.47526842 0.12215198 0.50000000 1.0 Co Co8 1 0.35311744 0.87784802 0.50000000 1.0 Co Co9 1 0.52473158 0.64688256 0.50000000 1.0 Co Co10 1 0.12215198 0.47526842 0.50000000 1.0 Co Co11 1 0.44784991 0.44784991 0.00000000 1.0 Co Co12 1 0.55215009 0.00000000 0.00000000 1.0 Co Co13 1 1.00000000 0.55215009 0.00000000 1.0 Co Co14 1 0.80568707 0.17789185 0.00000000 1.0 Co Co15 1 0.82210815 0.62779522 0.00000000 1.0 Co Co16 1 0.37220478 0.19431293 0.00000000 1.0 Co Co17 1 0.17789185 0.80568707 0.00000000 1.0 Co Co18 1 0.62779522 0.82210815 0.00000000 1.0 Co Co19 1 0.19431293 0.37220478 0.00000000 1.0 Co Co20 1 0.27698532 0.27698532 0.50000000 1.0 Co Co21 1 0.72301468 1.00000000 0.50000000 1.0 Co Co22 1 0.00000000 0.72301468 0.50000000 1.0 Co Co23 1 0.00000000 0.00000000 0.00000000 1.0 Si Si24 1 0.68024083 0.16242332 0.50000000 1.0 Si Si25 1 0.83757668 0.51781752 0.50000000 1.0 Si Si26 1 0.48218248 0.31975917 0.50000000 1.0 Si Si27 1 0.16242332 0.68024083 0.50000000 1.0 Si Si28 1 0.51781752 0.83757668 0.50000000 1.0 Si Si29 1 0.31975917 0.48218248 0.50000000 1.0 P P30 1 0.17820298 0.17820298 0.00000000 1.0 P P31 1 0.82179702 1.00000000 0.00000000 1.0 P P32 1 0.00000000 0.82179702 0.00000000 1.0 P P33 1 0.63706166 0.63706166 0.00000000 1.0 P P34 1 0.36293834 1.00000000 0.00000000 1.0 P P35 1 0.00000000 0.36293834 0.00000000 1.0