# generated using pymatgen data_Er12Si12Os3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18682195 _cell_length_b 10.56370906 _cell_length_c 12.17972579 _cell_angle_alpha 90.01166341 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er12Si12Os3Ru _chemical_formula_sum 'Er12 Si12 Os3 Ru1' _cell_volume 538.68939571 _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 0.25000000 0.88092487 0.02245168 1.0 Er Er1 1 0.25000000 0.61914225 0.52236826 1.0 Er Er2 1 0.75000000 0.11924899 0.97764369 1.0 Er Er3 1 0.75000000 0.38085720 0.47769565 1.0 Er Er4 1 0.25000000 0.91964814 0.60441536 1.0 Er Er5 1 0.25000000 0.58016478 0.10490691 1.0 Er Er6 1 0.75000000 0.08018682 0.39522436 1.0 Er Er7 1 0.75000000 0.41973192 0.89517480 1.0 Er Er8 1 0.25000000 0.66384671 0.80021180 1.0 Er Er9 1 0.25000000 0.83702065 0.29981669 1.0 Er Er10 1 0.75000000 0.33674031 0.20014477 1.0 Er Er11 1 0.75000000 0.16299218 0.69983632 1.0 Si Si12 1 0.25000000 0.00804840 0.82089079 1.0 Si Si13 1 0.25000000 0.49359676 0.32082924 1.0 Si Si14 1 0.75000000 0.99347664 0.17903088 1.0 Si Si15 1 0.75000000 0.50662257 0.67939078 1.0 Si Si16 1 0.25000000 0.24895187 0.84155091 1.0 Si Si17 1 0.25000000 0.25108139 0.34190823 1.0 Si Si18 1 0.75000000 0.75077307 0.15855528 1.0 Si Si19 1 0.75000000 0.74891561 0.65759427 1.0 Si Si20 1 0.25000000 0.20299473 0.54472451 1.0 Si Si21 1 0.25000000 0.29696301 0.04483047 1.0 Si Si22 1 0.75000000 0.79671782 0.45490698 1.0 Si Si23 1 0.75000000 0.70137099 0.95652097 1.0 Os Os24 1 0.25000000 0.39062002 0.68076455 1.0 Os Os25 1 0.25000000 0.10963845 0.18093024 1.0 Os Os26 1 0.75000000 0.60932274 0.31912993 1.0 Ru Ru27 1 0.75000000 0.89040213 0.81855270 1.0