# generated using pymatgen data_Er5Sc3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.77861679 _cell_length_b 12.77861674 _cell_length_c 3.93080821 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000271 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er5Sc3(P3Ir4)4 _chemical_formula_sum 'Er5 Sc3 P12 Ir16' _cell_volume 555.87886931 _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 Er Er0 1 0.33333300 0.66666700 0.50000000 1.0 Er Er1 1 0.66666700 0.33333300 0.50000000 1.0 Er Er2 1 1.00000000 0.81242897 0.00000000 1.0 Er Er3 1 0.18757103 0.18757103 0.00000000 1.0 Er Er4 1 0.81242897 1.00000000 0.00000000 1.0 Sc Sc5 1 1.00000000 0.44403026 0.50000000 1.0 Sc Sc6 1 0.55596974 0.55596974 0.50000000 1.0 Sc Sc7 1 0.44403026 1.00000000 0.50000000 1.0 P P8 1 0.00000000 0.64643131 0.50000000 1.0 P P9 1 0.35356869 0.35356869 0.50000000 1.0 P P10 1 0.64643131 0.00000000 0.50000000 1.0 P P11 1 0.51733243 0.68810664 0.00000000 1.0 P P12 1 0.31189336 0.82922679 0.00000000 1.0 P P13 1 0.17077321 0.48266757 0.00000000 1.0 P P14 1 0.48266757 0.17077321 0.00000000 1.0 P P15 1 0.68810664 0.51733243 0.00000000 1.0 P P16 1 0.82922679 0.31189336 0.00000000 1.0 P P17 1 0.00000000 0.17612905 0.50000000 1.0 P P18 1 0.82387095 0.82387095 0.50000000 1.0 P P19 1 0.17612905 0.00000000 0.50000000 1.0 Ir Ir20 1 0.50755850 0.86689064 0.00000000 1.0 Ir Ir21 1 0.13310936 0.64066787 0.00000000 1.0 Ir Ir22 1 0.35933213 0.49244150 0.00000000 1.0 Ir Ir23 1 0.49244150 0.35933213 0.00000000 1.0 Ir Ir24 1 0.86689064 0.50755850 0.00000000 1.0 Ir Ir25 1 0.64066787 0.13310936 0.00000000 1.0 Ir Ir26 1 1.00000000 0.27652808 0.00000000 1.0 Ir Ir27 1 0.72347192 0.72347192 0.00000000 1.0 Ir Ir28 1 0.27652808 1.00000000 0.00000000 1.0 Ir Ir29 1 0.62892559 0.80834897 0.50000000 1.0 Ir Ir30 1 0.19165103 0.82057662 0.50000000 1.0 Ir Ir31 1 0.17942338 0.37107441 0.50000000 1.0 Ir Ir32 1 0.37107441 0.17942338 0.50000000 1.0 Ir Ir33 1 0.80834897 0.62892559 0.50000000 1.0 Ir Ir34 1 0.82057662 0.19165103 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0