# generated using pymatgen data_Er6Zn16Ir7Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.86286671 _cell_length_b 8.86286695 _cell_length_c 8.86286704 _cell_angle_alpha 59.99999607 _cell_angle_beta 59.99999520 _cell_angle_gamma 59.99999975 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er6Zn16Ir7Se _chemical_formula_sum 'Er6 Zn16 Ir7 Se1' _cell_volume 492.27485631 _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 0.72493482 0.27506518 0.27506518 1.0 Er Er1 1 0.72493482 0.27506518 0.72493482 1.0 Er Er2 1 0.72493482 0.72493482 0.27506518 1.0 Er Er3 1 0.27506518 0.72493482 0.72493482 1.0 Er Er4 1 0.27506518 0.72493482 0.27506518 1.0 Er Er5 1 0.27506518 0.27506518 0.72493482 1.0 Zn Zn6 1 0.62828518 0.12390527 0.12390527 1.0 Zn Zn7 1 0.12390527 0.62828518 0.12390527 1.0 Zn Zn8 1 0.12390527 0.12390527 0.62828518 1.0 Zn Zn9 1 0.12390527 0.12390527 0.12390527 1.0 Zn Zn10 1 0.37171482 0.87609473 0.87609473 1.0 Zn Zn11 1 0.87609473 0.37171482 0.87609473 1.0 Zn Zn12 1 0.87609473 0.87609473 0.37171482 1.0 Zn Zn13 1 0.87609473 0.87609473 0.87609473 1.0 Zn Zn14 1 0.00249436 0.33250121 0.33250121 1.0 Zn Zn15 1 0.33250121 0.00249436 0.33250121 1.0 Zn Zn16 1 0.33250121 0.33250121 0.00249436 1.0 Zn Zn17 1 0.33250121 0.33250121 0.33250121 1.0 Zn Zn18 1 0.99750564 0.66749879 0.66749879 1.0 Zn Zn19 1 0.66749879 0.99750564 0.66749879 1.0 Zn Zn20 1 0.66749879 0.66749879 0.99750564 1.0 Zn Zn21 1 0.66749879 0.66749879 0.66749879 1.0 Ir Ir22 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir24 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir25 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir26 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir27 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir28 1 0.00000000 0.00000000 0.00000000 1.0 Se Se29 1 0.50000000 0.50000000 0.50000000 1.0