# generated using pymatgen data_LiTaP7Ru12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.28556184 _cell_length_b 9.28556026 _cell_length_c 3.87227733 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999772 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTaP7Ru12 _chemical_formula_sum 'Li1 Ta1 P7 Ru12' _cell_volume 289.14347406 _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 Li Li0 1 0.33333300 0.66666700 0.00000000 1.0 Ta Ta1 1 0.66666700 0.33333300 0.50000000 1.0 P P2 1 0.59739922 0.72200596 0.50000000 1.0 P P3 1 0.00000000 0.00000000 0.00000000 1.0 P P4 1 0.27799404 0.87539427 0.50000000 1.0 P P5 1 0.12460573 0.40260078 0.50000000 1.0 P P6 1 0.88906703 0.57170935 0.00000000 1.0 P P7 1 0.42829065 0.31735867 0.00000000 1.0 P P8 1 0.68264133 0.11093297 0.00000000 1.0 Ru Ru9 1 0.55716581 0.96143860 0.50000000 1.0 Ru Ru10 1 0.40427379 0.44283419 0.50000000 1.0 Ru Ru11 1 0.91656090 0.12207121 0.50000000 1.0 Ru Ru12 1 0.20551030 0.08343910 0.50000000 1.0 Ru Ru13 1 0.87792879 0.79448970 0.50000000 1.0 Ru Ru14 1 0.72374643 0.88625148 0.00000000 1.0 Ru Ru15 1 0.11374852 0.83749495 0.00000000 1.0 Ru Ru16 1 0.16250505 0.27625357 0.00000000 1.0 Ru Ru17 1 0.42836620 0.08108690 0.00000000 1.0 Ru Ru18 1 0.91891310 0.34728030 0.00000000 1.0 Ru Ru19 1 0.65271970 0.57163380 0.00000000 1.0 Ru Ru20 1 0.03856140 0.59572621 0.50000000 1.0