# generated using pymatgen data_Mg2P7Ru12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.33385264 _cell_length_b 9.33385256 _cell_length_c 3.86786245 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999592 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2P7Ru12 _chemical_formula_sum 'Mg2 P7 Ru12' _cell_volume 291.82570713 _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 Mg Mg0 1 0.00000000 0.00000000 0.00000000 1.0 Mg Mg1 1 0.33333300 0.66666700 0.50000000 1.0 P P2 1 0.26629885 0.04715165 0.50000000 1.0 P P3 1 0.95284835 0.21914620 0.50000000 1.0 P P4 1 0.78085380 0.73370115 0.50000000 1.0 P P5 1 0.35727794 0.43456370 0.00000000 1.0 P P6 1 0.56543630 0.92271425 0.00000000 1.0 P P7 1 0.07728575 0.64272206 0.00000000 1.0 P P8 1 0.66666700 0.33333300 0.00000000 1.0 Ru Ru9 1 0.05866602 0.78081119 0.50000000 1.0 Ru Ru10 1 0.72214718 0.94133398 0.50000000 1.0 Ru Ru11 1 0.87423169 0.42164708 0.50000000 1.0 Ru Ru12 1 0.54741539 0.12576831 0.50000000 1.0 Ru Ru13 1 0.57835292 0.45258461 0.50000000 1.0 Ru Ru14 1 0.39096978 0.20977559 0.00000000 1.0 Ru Ru15 1 0.79022441 0.18119419 0.00000000 1.0 Ru Ru16 1 0.81880581 0.60903022 0.00000000 1.0 Ru Ru17 1 0.58340474 0.68831722 0.00000000 1.0 Ru Ru18 1 0.31168278 0.89508653 0.00000000 1.0 Ru Ru19 1 0.10491347 0.41659526 0.00000000 1.0 Ru Ru20 1 0.21918881 0.27785282 0.50000000 1.0