# generated using pymatgen data_Hf2Si(PRu2)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.29619874 _cell_length_b 9.29619827 _cell_length_c 3.87958912 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999472 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Si(PRu2)6 _chemical_formula_sum 'Hf2 Si1 P6 Ru12' _cell_volume 290.35356669 _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 Hf Hf0 1 0.66666700 0.33333300 0.50000000 1.0 Hf Hf1 1 0.33333300 0.66666700 0.00000000 1.0 Si Si2 1 0.00000000 0.00000000 0.00000000 1.0 P P3 1 0.59794692 0.72032058 0.50000000 1.0 P P4 1 0.27967942 0.87762635 0.50000000 1.0 P P5 1 0.12237365 0.40205308 0.50000000 1.0 P P6 1 0.88337596 0.57478866 0.00000000 1.0 P P7 1 0.42521134 0.30858630 0.00000000 1.0 P P8 1 0.69141370 0.11662404 0.00000000 1.0 Ru Ru9 1 0.54886294 0.94430565 0.50000000 1.0 Ru Ru10 1 0.39544471 0.45113706 0.50000000 1.0 Ru Ru11 1 0.91139136 0.12231016 0.50000000 1.0 Ru Ru12 1 0.21091980 0.08860864 0.50000000 1.0 Ru Ru13 1 0.87768984 0.78908020 0.50000000 1.0 Ru Ru14 1 0.71707266 0.88491281 0.00000000 1.0 Ru Ru15 1 0.11508719 0.83215985 0.00000000 1.0 Ru Ru16 1 0.16784015 0.28292734 0.00000000 1.0 Ru Ru17 1 0.43157776 0.07323973 0.00000000 1.0 Ru Ru18 1 0.92676027 0.35834003 0.00000000 1.0 Ru Ru19 1 0.64165997 0.56842224 0.00000000 1.0 Ru Ru20 1 0.05569435 0.60455529 0.50000000 1.0