# generated using pymatgen data_Sc5Ti3(Co4P3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.88052203 _cell_length_b 11.88052261 _cell_length_c 3.57054471 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999838 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Ti3(Co4P3)4 _chemical_formula_sum 'Sc5 Ti3 Co16 P12' _cell_volume 436.45169426 _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 0.81644861 0.81644861 0.50000000 1.0 Sc Sc3 1 0.18355139 0.00000000 0.50000000 1.0 Sc Sc4 1 1.00000000 0.18355139 0.50000000 1.0 Ti Ti5 1 0.44167972 0.44167972 0.00000000 1.0 Ti Ti6 1 0.55832028 0.00000000 0.00000000 1.0 Ti Ti7 1 1.00000000 0.55832028 0.00000000 1.0 Co Co8 1 0.19639321 0.37359215 0.00000000 1.0 Co Co9 1 0.17719793 0.80360679 0.00000000 1.0 Co Co10 1 0.82280207 0.62640785 0.00000000 1.0 Co Co11 1 0.80360679 0.17719793 0.00000000 1.0 Co Co12 1 0.37359215 0.19639321 0.00000000 1.0 Co Co13 1 0.12612919 0.48168336 0.50000000 1.0 Co Co14 1 0.35555517 0.87387081 0.50000000 1.0 Co Co15 1 0.51831664 0.64444483 0.50000000 1.0 Co Co16 1 0.64444483 0.51831664 0.50000000 1.0 Co Co17 1 0.87387081 0.35555517 0.50000000 1.0 Co Co18 1 0.48168336 0.12612919 0.50000000 1.0 Co Co19 1 0.00000000 0.00000000 0.00000000 1.0 Co Co20 1 0.71928504 0.00000000 0.50000000 1.0 Co Co21 1 0.00000000 0.71928504 0.50000000 1.0 Co Co22 1 0.62640785 0.82280207 0.00000000 1.0 Co Co23 1 0.28071496 0.28071496 0.50000000 1.0 P P24 1 0.64691285 0.64691285 0.00000000 1.0 P P25 1 0.35308715 0.00000000 0.00000000 1.0 P P26 1 1.00000000 0.35308715 0.00000000 1.0 P P27 1 0.48357050 0.31302877 0.50000000 1.0 P P28 1 0.68697123 0.17054073 0.50000000 1.0 P P29 1 0.82945927 0.51642950 0.50000000 1.0 P P30 1 0.51642950 0.82945927 0.50000000 1.0 P P31 1 0.17054073 0.68697123 0.50000000 1.0 P P32 1 0.82355879 0.00000000 0.00000000 1.0 P P33 1 0.00000000 0.82355879 0.00000000 1.0 P P34 1 0.31302877 0.48357050 0.50000000 1.0 P P35 1 0.17644121 0.17644121 0.00000000 1.0