# generated using pymatgen data_Mn6Al5AsRu12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21044402 _cell_length_b 5.95944833 _cell_length_c 12.64110477 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99849549 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6Al5AsRu12 _chemical_formula_sum 'Mn6 Al5 As1 Ru12' _cell_volume 317.18963518 _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 Mn Mn0 1 0.00000000 0.50000100 0.00000000 1.0 Mn Mn1 1 0.49987044 0.00000000 0.17166763 1.0 Mn Mn2 1 0.99991699 0.50000100 0.33328328 1.0 Mn Mn3 1 0.49999900 0.00000000 0.50000000 1.0 Mn Mn4 1 0.00008101 0.50000100 0.66671672 1.0 Mn Mn5 1 0.50013056 0.00000000 0.82833237 1.0 Al Al6 1 0.49983841 0.50000100 0.16599921 1.0 Al Al7 1 0.99986607 0.00000000 0.33387872 1.0 Al Al8 1 0.49999900 0.50000100 0.50000000 1.0 Al Al9 1 0.00013493 0.00000000 0.66612128 1.0 Al Al10 1 0.50015959 0.50000100 0.83400079 1.0 As As11 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru12 1 0.49999900 0.24355823 0.00000000 1.0 Ru Ru13 1 0.49999900 0.75644177 0.00000000 1.0 Ru Ru14 1 0.99988625 0.24709285 0.16485769 1.0 Ru Ru15 1 0.99988625 0.75290715 0.16485769 1.0 Ru Ru16 1 0.49990086 0.25110760 0.33332080 1.0 Ru Ru17 1 0.49990086 0.74889240 0.33332080 1.0 Ru Ru18 1 0.00000000 0.25050622 0.50000000 1.0 Ru Ru19 1 0.00000000 0.74949278 0.50000000 1.0 Ru Ru20 1 0.50009914 0.25110760 0.66667920 1.0 Ru Ru21 1 0.50009914 0.74889240 0.66667920 1.0 Ru Ru22 1 0.00011475 0.24709285 0.83514231 1.0 Ru Ru23 1 0.00011475 0.75290715 0.83514231 1.0