# generated using pymatgen data_LaNbP7Ru12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.37475842 _cell_length_b 9.37475787 _cell_length_c 3.90276290 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999754 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNbP7Ru12 _chemical_formula_sum 'La1 Nb1 P7 Ru12' _cell_volume 297.04548451 _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 La La0 1 0.33333300 0.66666700 0.00000000 1.0 Nb Nb1 1 0.66666700 0.33333300 0.50000000 1.0 P P2 1 0.60568242 0.71928014 0.50000000 1.0 P P3 1 0.00000000 0.00000000 0.00000000 1.0 P P4 1 0.28071986 0.88640228 0.50000000 1.0 P P5 1 0.11359772 0.39431758 0.50000000 1.0 P P6 1 0.88748289 0.56978280 0.00000000 1.0 P P7 1 0.43021720 0.31769909 0.00000000 1.0 P P8 1 0.68230091 0.11251711 0.00000000 1.0 Ru Ru9 1 0.56284647 0.96509680 0.50000000 1.0 Ru Ru10 1 0.40225034 0.43715353 0.50000000 1.0 Ru Ru11 1 0.91475394 0.11992306 0.50000000 1.0 Ru Ru12 1 0.20516912 0.08524606 0.50000000 1.0 Ru Ru13 1 0.88007694 0.79483088 0.50000000 1.0 Ru Ru14 1 0.72694433 0.88979957 0.00000000 1.0 Ru Ru15 1 0.11020043 0.83714376 0.00000000 1.0 Ru Ru16 1 0.16285624 0.27305567 0.00000000 1.0 Ru Ru17 1 0.42733067 0.08062772 0.00000000 1.0 Ru Ru18 1 0.91937228 0.34670395 0.00000000 1.0 Ru Ru19 1 0.65329605 0.57266933 0.00000000 1.0 Ru Ru20 1 0.03490320 0.59774966 0.50000000 1.0