# generated using pymatgen data_Er2Ni6P7Ru6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.21795478 _cell_length_b 9.21795570 _cell_length_c 3.69127906 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000981 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2Ni6P7Ru6 _chemical_formula_sum 'Er2 Ni6 P7 Ru6' _cell_volume 271.62932698 _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 0.66666700 0.33333300 0.50000000 1.0 Er Er1 1 0.33333300 0.66666700 0.00000000 1.0 Ni Ni2 1 0.71969535 0.88184368 0.00000000 1.0 Ni Ni3 1 0.93392044 0.36501845 0.00000000 1.0 Ni Ni4 1 0.16214833 0.28030465 0.00000000 1.0 Ni Ni5 1 0.11815632 0.83785167 0.00000000 1.0 Ni Ni6 1 0.43109800 0.06607956 0.00000000 1.0 Ni Ni7 1 0.63498155 0.56890200 0.00000000 1.0 P P8 1 0.41467394 0.29638466 0.00000000 1.0 P P9 1 0.28780351 0.88481901 0.50000000 1.0 P P10 1 0.70361534 0.11828929 0.00000000 1.0 P P11 1 0.59701650 0.71219649 0.50000000 1.0 P P12 1 0.88171071 0.58532606 0.00000000 1.0 P P13 1 0.11518099 0.40298350 0.50000000 1.0 P P14 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru15 1 0.20936140 0.08707205 0.50000000 1.0 Ru Ru16 1 0.91292795 0.12228935 0.50000000 1.0 Ru Ru17 1 0.38829499 0.43582076 0.50000000 1.0 Ru Ru18 1 0.04752577 0.61170501 0.50000000 1.0 Ru Ru19 1 0.56417924 0.95247423 0.50000000 1.0 Ru Ru20 1 0.87771065 0.79063860 0.50000000 1.0