# generated using pymatgen data_PrLuP7Ru12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.37741808 _cell_length_b 9.37728676 _cell_length_c 3.93552404 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00043692 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrLuP7Ru12 _chemical_formula_sum 'Pr1 Lu1 P7 Ru12' _cell_volume 299.70346571 _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 Pr Pr0 1 0.33333415 0.66665489 0.00000000 1.0 Lu Lu1 1 0.66666556 0.33333506 0.50000000 1.0 P P2 1 0.60577578 0.71850081 0.50000000 1.0 P P3 1 0.00000775 0.00001275 0.00000000 1.0 P P4 1 0.28148804 0.88726643 0.50000000 1.0 P P5 1 0.11273213 0.39422393 0.50000000 1.0 P P6 1 0.88621622 0.57171290 0.00000000 1.0 P P7 1 0.42828779 0.31451893 0.00000000 1.0 P P8 1 0.68550137 0.11378050 0.00000000 1.0 Ru Ru9 1 0.56025500 0.95644053 0.50000000 1.0 Ru Ru10 1 0.39620596 0.43975725 0.50000000 1.0 Ru Ru11 1 0.91461645 0.11938539 0.50000000 1.0 Ru Ru12 1 0.20477225 0.08540306 0.50000000 1.0 Ru Ru13 1 0.88060800 0.79521239 0.50000000 1.0 Ru Ru14 1 0.72856166 0.89185912 0.00000000 1.0 Ru Ru15 1 0.10812126 0.83669075 0.00000000 1.0 Ru Ru16 1 0.16330922 0.27143654 0.00000000 1.0 Ru Ru17 1 0.42359306 0.07075090 0.00000000 1.0 Ru Ru18 1 0.92925981 0.35285783 0.00000000 1.0 Ru Ru19 1 0.64714539 0.57640299 0.00000000 1.0 Ru Ru20 1 0.04354416 0.60379605 0.50000000 1.0