# generated using pymatgen data_Er2Si4W3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82036041 _cell_length_b 6.82036041 _cell_length_c 12.66263537 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2Si4W3 _chemical_formula_sum 'Er8 Si16 W12' _cell_volume 589.03181174 _cell_formula_units_Z 4 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 0.33638015 0.99761890 0.46881846 1.0 Er Er1 1 0.50238210 0.83638015 0.71881846 1.0 Er Er2 1 0.49761790 0.16361985 0.21881846 1.0 Er Er3 1 0.83638015 0.50238210 0.28118154 1.0 Er Er4 1 0.16361985 0.49761790 0.78118154 1.0 Er Er5 1 0.66361985 0.00238210 0.96881846 1.0 Er Er6 1 0.99761890 0.33638015 0.53118154 1.0 Er Er7 1 0.00238210 0.66361985 0.03118154 1.0 Si Si8 1 0.20262414 0.12534689 0.68331753 1.0 Si Si9 1 0.37465311 0.70262414 0.93331753 1.0 Si Si10 1 0.62534689 0.29737586 0.43331753 1.0 Si Si11 1 0.70262414 0.37465311 0.06668247 1.0 Si Si12 1 0.29737586 0.62534689 0.56668247 1.0 Si Si13 1 0.79737586 0.87465311 0.18331753 1.0 Si Si14 1 0.12534689 0.20262414 0.31668247 1.0 Si Si15 1 0.87465311 0.79737586 0.81668247 1.0 Si Si16 1 0.29038352 0.96365090 0.06382040 1.0 Si Si17 1 0.53634910 0.79038352 0.31382040 1.0 Si Si18 1 0.46365090 0.20961648 0.81382040 1.0 Si Si19 1 0.79038352 0.53634910 0.68617960 1.0 Si Si20 1 0.20961648 0.46365090 0.18617960 1.0 Si Si21 1 0.70961648 0.03634910 0.56382040 1.0 Si Si22 1 0.96365090 0.29038352 0.93617960 1.0 Si Si23 1 0.03634910 0.70961648 0.43617960 1.0 W W24 1 0.33259188 0.33259188 0.00000000 1.0 W W25 1 0.16740812 0.83259188 0.25000000 1.0 W W26 1 0.83259188 0.16740812 0.75000000 1.0 W W27 1 0.66740812 0.66740812 0.50000000 1.0 W W28 1 0.16452272 0.99989741 0.87411650 1.0 W W29 1 0.50010259 0.66452272 0.12411650 1.0 W W30 1 0.49989741 0.33547728 0.62411650 1.0 W W31 1 0.66452272 0.50010259 0.87588350 1.0 W W32 1 0.33547728 0.49989741 0.37588350 1.0 W W33 1 0.83547728 0.00010259 0.37411650 1.0 W W34 1 0.99989741 0.16452272 0.12588350 1.0 W W35 1 0.00010259 0.83547728 0.62588350 1.0