# generated using pymatgen data_Pr2P7Ru12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.42698405 _cell_length_b 9.42698400 _cell_length_c 3.96071529 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999924 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr2P7Ru12 _chemical_formula_sum 'Pr2 P7 Ru12' _cell_volume 304.82445236 _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 0.33333300 0.66666700 0.00000000 1.0 Pr Pr1 1 0.66666700 0.33333300 0.50000000 1.0 P P2 1 0.10930347 0.39445913 0.50000000 1.0 P P3 1 0.60554087 0.71484534 0.50000000 1.0 P P4 1 0.28515466 0.89069653 0.50000000 1.0 P P5 1 0.00000000 0.00000000 0.00000000 1.0 P P6 1 0.42015284 0.31173004 0.00000000 1.0 P P7 1 0.68826996 0.10842280 0.00000000 1.0 P P8 1 0.89157720 0.57984716 0.00000000 1.0 Ru Ru9 1 0.42241249 0.06501966 0.00000000 1.0 Ru Ru10 1 0.93498034 0.35739183 0.00000000 1.0 Ru Ru11 1 0.64260817 0.57758751 0.00000000 1.0 Ru Ru12 1 0.39008294 0.43939956 0.50000000 1.0 Ru Ru13 1 0.56060044 0.95068338 0.50000000 1.0 Ru Ru14 1 0.04931662 0.60991706 0.50000000 1.0 Ru Ru15 1 0.15984146 0.26924520 0.00000000 1.0 Ru Ru16 1 0.73075480 0.89059627 0.00000000 1.0 Ru Ru17 1 0.10940373 0.84015854 0.00000000 1.0 Ru Ru18 1 0.20621652 0.08658972 0.50000000 1.0 Ru Ru19 1 0.91341028 0.11962781 0.50000000 1.0 Ru Ru20 1 0.88037219 0.79378348 0.50000000 1.0