# generated using pymatgen data_Zr2P7Ru12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.30265657 _cell_length_b 9.30265551 _cell_length_c 3.87880540 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999244 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2P7Ru12 _chemical_formula_sum 'Zr2 P7 Ru12' _cell_volume 290.69836079 _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 Zr Zr0 1 0.66666700 0.33333300 0.50000000 1.0 Zr Zr1 1 0.33333300 0.66666700 0.00000000 1.0 P P2 1 0.59613365 0.71648970 0.50000000 1.0 P P3 1 0.00000000 0.00000000 0.00000000 1.0 P P4 1 0.28351030 0.87964395 0.50000000 1.0 P P5 1 0.12035605 0.40386635 0.50000000 1.0 P P6 1 0.88346948 0.57636966 0.00000000 1.0 P P7 1 0.42363034 0.30709882 0.00000000 1.0 P P8 1 0.69290118 0.11653052 0.00000000 1.0 Ru Ru9 1 0.55261827 0.94350721 0.50000000 1.0 Ru Ru10 1 0.39088995 0.44738173 0.50000000 1.0 Ru Ru11 1 0.91111091 0.12556658 0.50000000 1.0 Ru Ru12 1 0.21445567 0.08888909 0.50000000 1.0 Ru Ru13 1 0.87443342 0.78554433 0.50000000 1.0 Ru Ru14 1 0.72575569 0.88876238 0.00000000 1.0 Ru Ru15 1 0.11123762 0.83699331 0.00000000 1.0 Ru Ru16 1 0.16300669 0.27424431 0.00000000 1.0 Ru Ru17 1 0.43192091 0.07134580 0.00000000 1.0 Ru Ru18 1 0.92865420 0.36057611 0.00000000 1.0 Ru Ru19 1 0.63942389 0.56807909 0.00000000 1.0 Ru Ru20 1 0.05649279 0.60911005 0.50000000 1.0