# generated using pymatgen data_Er6VP12Ir17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94766915 _cell_length_b 11.12338307 _cell_length_c 12.65761161 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er6VP12Ir17 _chemical_formula_sum 'Er6 V1 P12 Ir17' _cell_volume 555.81390486 _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 0.75000000 0.25000000 0.47662414 1.0 Er Er1 1 0.25000000 0.75000000 0.52505226 1.0 Er Er2 1 0.25000000 0.92978302 0.79158811 1.0 Er Er3 1 0.25000000 0.57021698 0.79158811 1.0 Er Er4 1 0.75000000 0.07266972 0.20604662 1.0 Er Er5 1 0.75000000 0.42733028 0.20604662 1.0 V V6 1 0.25000000 0.25000000 0.83956312 1.0 P P7 1 0.25000000 0.25000000 0.12270731 1.0 P P8 1 0.75000000 0.75000000 0.87837526 1.0 P P9 1 0.25000000 0.25000000 0.64708548 1.0 P P10 1 0.75000000 0.75000000 0.35902299 1.0 P P11 1 0.25000000 0.43255722 0.38172320 1.0 P P12 1 0.25000000 0.06744278 0.38172320 1.0 P P13 1 0.75000000 0.56511958 0.61800341 1.0 P P14 1 0.75000000 0.93488042 0.61800341 1.0 P P15 1 0.25000000 0.90931934 0.11188530 1.0 P P16 1 0.25000000 0.59068066 0.11188530 1.0 P P17 1 0.75000000 0.09394213 0.88600571 1.0 P P18 1 0.75000000 0.40605787 0.88600571 1.0 Ir Ir19 1 0.75000000 0.75000000 0.17669842 1.0 Ir Ir20 1 0.25000000 0.25000000 0.29983063 1.0 Ir Ir21 1 0.75000000 0.75000000 0.70117148 1.0 Ir Ir22 1 0.75000000 0.25000000 0.00249078 1.0 Ir Ir23 1 0.25000000 0.75000000 0.99756271 1.0 Ir Ir24 1 0.25000000 0.41792436 0.01540468 1.0 Ir Ir25 1 0.25000000 0.08207564 0.01540468 1.0 Ir Ir26 1 0.75000000 0.58132103 0.98151832 1.0 Ir Ir27 1 0.75000000 0.91867897 0.98151832 1.0 Ir Ir28 1 0.25000000 0.45116991 0.56595339 1.0 Ir Ir29 1 0.25000000 0.04883009 0.56595339 1.0 Ir Ir30 1 0.75000000 0.55175664 0.43045872 1.0 Ir Ir31 1 0.75000000 0.94824336 0.43045872 1.0 Ir Ir32 1 0.25000000 0.88143351 0.28795661 1.0 Ir Ir33 1 0.25000000 0.61856649 0.28795661 1.0 Ir Ir34 1 0.75000000 0.12187710 0.71036316 1.0 Ir Ir35 1 0.75000000 0.37812290 0.71036316 1.0