# generated using pymatgen data_Lu2Si(PRu2)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.33226965 _cell_length_b 9.33226918 _cell_length_c 3.92010361 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999128 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2Si(PRu2)6 _chemical_formula_sum 'Lu2 Si1 P6 Ru12' _cell_volume 295.66692983 _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 Lu Lu0 1 0.66666700 0.33333300 0.50000000 1.0 Lu Lu1 1 0.33333300 0.66666700 0.00000000 1.0 Si Si2 1 0.00000000 0.00000000 0.00000000 1.0 P P3 1 0.60142628 0.71944249 0.50000000 1.0 P P4 1 0.28055751 0.88198479 0.50000000 1.0 P P5 1 0.11801521 0.39857372 0.50000000 1.0 P P6 1 0.88537050 0.57465517 0.00000000 1.0 P P7 1 0.42534483 0.31071433 0.00000000 1.0 P P8 1 0.68928567 0.11462950 0.00000000 1.0 Ru Ru9 1 0.55362968 0.94939160 0.50000000 1.0 Ru Ru10 1 0.39576392 0.44637032 0.50000000 1.0 Ru Ru11 1 0.91312312 0.12030187 0.50000000 1.0 Ru Ru12 1 0.20717975 0.08687688 0.50000000 1.0 Ru Ru13 1 0.87969813 0.79282025 0.50000000 1.0 Ru Ru14 1 0.71920700 0.88598150 0.00000000 1.0 Ru Ru15 1 0.11401850 0.83322451 0.00000000 1.0 Ru Ru16 1 0.16677549 0.28079300 0.00000000 1.0 Ru Ru17 1 0.42612556 0.06905972 0.00000000 1.0 Ru Ru18 1 0.93094028 0.35706684 0.00000000 1.0 Ru Ru19 1 0.64293316 0.57387444 0.00000000 1.0 Ru Ru20 1 0.05060840 0.60423608 0.50000000 1.0