# generated using pymatgen data_Er2P7(IrRu3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.37461020 _cell_length_b 9.37461046 _cell_length_c 3.91316396 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999563 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2P7(IrRu3)3 _chemical_formula_sum 'Er2 P7 Ir3 Ru9' _cell_volume 297.82773902 _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 0.00000000 0.00000000 0.00000000 1.0 Er Er1 1 0.33333300 0.66666700 0.50000000 1.0 P P2 1 0.08618822 0.63226415 0.00000000 1.0 P P3 1 0.54607493 0.91381178 0.00000000 1.0 P P4 1 0.36773585 0.45392507 0.00000000 1.0 P P5 1 0.78213373 0.73375731 0.50000000 1.0 P P6 1 0.95162258 0.21786627 0.50000000 1.0 P P7 1 0.26624269 0.04837742 0.50000000 1.0 P P8 1 0.66666700 0.33333300 0.00000000 1.0 Ir Ir9 1 0.05442794 0.77999193 0.50000000 1.0 Ir Ir10 1 0.72556399 0.94557206 0.50000000 1.0 Ir Ir11 1 0.22000807 0.27443601 0.50000000 1.0 Ru Ru12 1 0.10060942 0.39899413 0.00000000 1.0 Ru Ru13 1 0.29838471 0.89939058 0.00000000 1.0 Ru Ru14 1 0.60100587 0.70161529 0.00000000 1.0 Ru Ru15 1 0.82859398 0.60457438 0.00000000 1.0 Ru Ru16 1 0.77598039 0.17140602 0.00000000 1.0 Ru Ru17 1 0.39542562 0.22401961 0.00000000 1.0 Ru Ru18 1 0.88701491 0.42307228 0.50000000 1.0 Ru Ru19 1 0.53605638 0.11298509 0.50000000 1.0 Ru Ru20 1 0.57692772 0.46394362 0.50000000 1.0