# generated using pymatgen data_Li3Sc5(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.55526047 _cell_length_b 12.55526057 _cell_length_c 3.87368479 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999975 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Sc5(P3Ir4)4 _chemical_formula_sum 'Li3 Sc5 P12 Ir16' _cell_volume 528.81816898 _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 Li Li0 1 0.44131863 0.00000000 0.00000000 1.0 Li Li1 1 0.00000000 0.44131863 0.00000000 1.0 Li Li2 1 0.55868137 0.55868137 0.00000000 1.0 Sc Sc3 1 0.33333300 0.66666700 0.00000000 1.0 Sc Sc4 1 0.66666700 0.33333300 0.00000000 1.0 Sc Sc5 1 0.80648285 0.00000000 0.50000000 1.0 Sc Sc6 1 0.00000000 0.80648285 0.50000000 1.0 Sc Sc7 1 0.19351715 0.19351715 0.50000000 1.0 P P8 1 0.17684994 0.00000000 0.00000000 1.0 P P9 1 1.00000000 0.17684994 0.00000000 1.0 P P10 1 0.82315006 0.82315006 0.00000000 1.0 P P11 1 0.17295559 0.48427116 0.50000000 1.0 P P12 1 0.51572884 0.68868343 0.50000000 1.0 P P13 1 0.31131657 0.82704441 0.50000000 1.0 P P14 1 0.68868343 0.51572884 0.50000000 1.0 P P15 1 0.82704441 0.31131657 0.50000000 1.0 P P16 1 0.48427116 0.17295559 0.50000000 1.0 P P17 1 0.63198352 0.00000000 0.00000000 1.0 P P18 1 1.00000000 0.63198352 0.00000000 1.0 P P19 1 0.36801648 0.36801648 0.00000000 1.0 Ir Ir20 1 0.36058370 0.49287131 0.50000000 1.0 Ir Ir21 1 0.50712869 0.86771239 0.50000000 1.0 Ir Ir22 1 0.13228761 0.63941630 0.50000000 1.0 Ir Ir23 1 0.86771239 0.50712869 0.50000000 1.0 Ir Ir24 1 0.63941630 0.13228761 0.50000000 1.0 Ir Ir25 1 0.49287131 0.36058370 0.50000000 1.0 Ir Ir26 1 0.18093412 0.36998330 0.00000000 1.0 Ir Ir27 1 0.63001670 0.81095182 0.00000000 1.0 Ir Ir28 1 0.18904818 0.81906588 0.00000000 1.0 Ir Ir29 1 0.81095182 0.63001670 0.00000000 1.0 Ir Ir30 1 0.81906588 0.18904818 0.00000000 1.0 Ir Ir31 1 0.36998330 0.18093412 0.00000000 1.0 Ir Ir32 1 0.27745265 0.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.27745265 0.50000000 1.0 Ir Ir34 1 0.72254735 0.72254735 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0