# generated using pymatgen data_Er2Zr3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.09394529 _cell_length_b 7.27062503 _cell_length_c 13.87818850 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2Zr3Si4 _chemical_formula_sum 'Er8 Zr12 Si16' _cell_volume 715.80110423 _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 0.01728465 0.17759539 0.09779879 1.0 Er Er1 1 0.98271535 0.82240461 0.90220121 1.0 Er Er2 1 0.48271535 0.67759539 0.90220121 1.0 Er Er3 1 0.98271535 0.82240461 0.59779879 1.0 Er Er4 1 0.51728465 0.32240461 0.09779879 1.0 Er Er5 1 0.01728465 0.17759539 0.40220121 1.0 Er Er6 1 0.51728465 0.32240461 0.40220121 1.0 Er Er7 1 0.48271535 0.67759539 0.59779879 1.0 Zr Zr8 1 0.15443730 0.49831794 0.75000000 1.0 Zr Zr9 1 0.84556270 0.50168206 0.25000000 1.0 Zr Zr10 1 0.34556270 0.99831794 0.25000000 1.0 Zr Zr11 1 0.65443730 0.00168206 0.75000000 1.0 Zr Zr12 1 0.32823639 0.17811182 0.62468017 1.0 Zr Zr13 1 0.67176361 0.82188818 0.37531983 1.0 Zr Zr14 1 0.17176361 0.67811182 0.37531983 1.0 Zr Zr15 1 0.67176361 0.82188818 0.12468017 1.0 Zr Zr16 1 0.82823639 0.32188818 0.62468017 1.0 Zr Zr17 1 0.32823639 0.17811182 0.87531983 1.0 Zr Zr18 1 0.82823639 0.32188818 0.87531983 1.0 Zr Zr19 1 0.17176361 0.67811182 0.12468017 1.0 Si Si20 1 0.03137431 0.11661231 0.75000000 1.0 Si Si21 1 0.96862569 0.88338769 0.25000000 1.0 Si Si22 1 0.46862569 0.61661231 0.25000000 1.0 Si Si23 1 0.53137431 0.38338769 0.75000000 1.0 Si Si24 1 0.27926138 0.87365093 0.75000000 1.0 Si Si25 1 0.72073862 0.12634907 0.25000000 1.0 Si Si26 1 0.22073862 0.37365093 0.25000000 1.0 Si Si27 1 0.77926138 0.62634907 0.75000000 1.0 Si Si28 1 0.15357265 0.46841513 0.54074311 1.0 Si Si29 1 0.84642735 0.53158487 0.45925689 1.0 Si Si30 1 0.34642735 0.96841513 0.45925689 1.0 Si Si31 1 0.84642735 0.53158487 0.04074311 1.0 Si Si32 1 0.65357265 0.03158487 0.54074311 1.0 Si Si33 1 0.15357265 0.46841513 0.95925689 1.0 Si Si34 1 0.65357265 0.03158487 0.95925689 1.0 Si Si35 1 0.34642735 0.96841513 0.04074311 1.0