# generated using pymatgen data_Er2Sc3P12Ru19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.35582751 _cell_length_b 12.35582823 _cell_length_c 3.92983377 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999808 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2Sc3P12Ru19 _chemical_formula_sum 'Er2 Sc3 P12 Ru19' _cell_volume 519.57532640 _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 0.66666700 0.33333300 0.00000000 1.0 Er Er1 1 0.33333300 0.66666700 0.00000000 1.0 Sc Sc2 1 0.00000000 0.18149572 0.50000000 1.0 Sc Sc3 1 0.81850428 0.81850428 0.50000000 1.0 Sc Sc4 1 0.18149572 0.00000000 0.50000000 1.0 P P5 1 0.00000000 0.81846552 0.00000000 1.0 P P6 1 0.18153448 0.18153448 0.00000000 1.0 P P7 1 0.81846552 0.00000000 0.00000000 1.0 P P8 1 0.69383819 0.16991074 0.50000000 1.0 P P9 1 0.83008926 0.52392746 0.50000000 1.0 P P10 1 0.47607254 0.30616181 0.50000000 1.0 P P11 1 0.16991074 0.69383819 0.50000000 1.0 P P12 1 0.52392746 0.83008926 0.50000000 1.0 P P13 1 0.30616181 0.47607254 0.50000000 1.0 P P14 1 1.00000000 0.37287215 0.00000000 1.0 P P15 1 0.62712785 0.62712785 0.00000000 1.0 P P16 1 0.37287215 0.00000000 0.00000000 1.0 Ru Ru17 1 0.00000000 0.55610537 0.00000000 1.0 Ru Ru18 1 0.44389463 0.44389463 0.00000000 1.0 Ru Ru19 1 0.55610537 0.00000000 0.00000000 1.0 Ru Ru20 1 0.00000000 0.72170579 0.50000000 1.0 Ru Ru21 1 0.27829421 0.27829421 0.50000000 1.0 Ru Ru22 1 0.72170579 0.00000000 0.50000000 1.0 Ru Ru23 1 0.81216590 0.18517520 0.00000000 1.0 Ru Ru24 1 0.81482480 0.62698970 0.00000000 1.0 Ru Ru25 1 0.37301030 0.18783410 0.00000000 1.0 Ru Ru26 1 0.18517520 0.81216590 0.00000000 1.0 Ru Ru27 1 0.62698970 0.81482480 0.00000000 1.0 Ru Ru28 1 0.18783410 0.37301030 0.00000000 1.0 Ru Ru29 1 0.87339853 0.36551854 0.50000000 1.0 Ru Ru30 1 0.63448146 0.50787999 0.50000000 1.0 Ru Ru31 1 0.49212001 0.12660147 0.50000000 1.0 Ru Ru32 1 0.36551854 0.87339853 0.50000000 1.0 Ru Ru33 1 0.50787999 0.63448146 0.50000000 1.0 Ru Ru34 1 0.12660147 0.49212001 0.50000000 1.0 Ru Ru35 1 0.00000000 0.00000000 0.00000000 1.0