# generated using pymatgen data_Mn2Ge3Pd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17574393 _cell_length_b 6.96267006 _cell_length_c 49.88621764 _cell_angle_alpha 90.03649100 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2Ge3Pd4 _chemical_formula_sum 'Mn16 Ge24 Pd32' _cell_volume 1103.06671919 _cell_formula_units_Z 8 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 0.25000000 0.48778086 0.26324966 1.0 Mn Mn1 1 0.25000000 0.48697547 0.59647253 1.0 Mn Mn2 1 0.25000000 0.48697180 0.92982243 1.0 Mn Mn3 1 0.25000000 0.98773758 0.23676354 1.0 Mn Mn4 1 0.25000000 0.98823999 0.56993146 1.0 Mn Mn5 1 0.25000000 0.98826476 0.90327749 1.0 Mn Mn6 1 0.75000000 0.51262674 0.07006383 1.0 Mn Mn7 1 0.75000000 0.51281377 0.40341149 1.0 Mn Mn8 1 0.75000000 0.51264692 0.73672329 1.0 Mn Mn9 1 0.75000000 0.01283387 0.09664435 1.0 Mn Mn10 1 0.75000000 0.01280946 0.42992401 1.0 Mn Mn11 1 0.75000000 0.01284130 0.76331480 1.0 Mn Mn12 1 0.25000000 0.39550485 0.18817067 1.0 Mn Mn13 1 0.25000000 0.39540611 0.52151285 1.0 Mn Mn14 1 0.25000000 0.39526518 0.85484365 1.0 Mn Mn15 1 0.25000000 0.89567960 0.31181721 1.0 Ge Ge16 1 0.75000000 0.30017175 0.22787552 1.0 Ge Ge17 1 0.75000000 0.29995525 0.56123940 1.0 Ge Ge18 1 0.75000000 0.29997963 0.89457819 1.0 Ge Ge19 1 0.75000000 0.80012624 0.27213407 1.0 Ge Ge20 1 0.75000000 0.79955774 0.60540249 1.0 Ge Ge21 1 0.75000000 0.79956018 0.93873556 1.0 Ge Ge22 1 0.25000000 0.70063510 0.10537750 1.0 Ge Ge23 1 0.25000000 0.70058537 0.43871567 1.0 Ge Ge24 1 0.25000000 0.70060726 0.77204236 1.0 Ge Ge25 1 0.25000000 0.20065319 0.06127687 1.0 Ge Ge26 1 0.25000000 0.20058352 0.39461109 1.0 Ge Ge27 1 0.25000000 0.20062577 0.72793904 1.0 Ge Ge28 1 0.25000000 0.25183436 0.31619865 1.0 Ge Ge29 1 0.25000000 0.25462991 0.64957844 1.0 Ge Ge30 1 0.25000000 0.25462223 0.98291358 1.0 Ge Ge31 1 0.25000000 0.75194324 0.18381562 1.0 Ge Ge32 1 0.25000000 0.75199930 0.51712256 1.0 Ge Ge33 1 0.25000000 0.75209572 0.85046247 1.0 Ge Ge34 1 0.75000000 0.74541936 0.01707653 1.0 Ge Ge35 1 0.75000000 0.74608989 0.35056336 1.0 Ge Ge36 1 0.75000000 0.74541694 0.68374311 1.0 Ge Ge37 1 0.75000000 0.24600199 0.14945421 1.0 Ge Ge38 1 0.75000000 0.24606920 0.48273924 1.0 Ge Ge39 1 0.75000000 0.24598683 0.81608308 1.0 Pd Pd40 1 0.75000000 0.03947156 0.19159459 1.0 Pd Pd41 1 0.75000000 0.03948718 0.52491903 1.0 Pd Pd42 1 0.75000000 0.03947435 0.85825838 1.0 Pd Pd43 1 0.75000000 0.53942895 0.30840041 1.0 Pd Pd44 1 0.75000000 0.53710208 0.64182272 1.0 Pd Pd45 1 0.75000000 0.53712464 0.97515935 1.0 Pd Pd46 1 0.25000000 0.96406838 0.14188161 1.0 Pd Pd47 1 0.25000000 0.96406773 0.47522642 1.0 Pd Pd48 1 0.25000000 0.96414927 0.80854708 1.0 Pd Pd49 1 0.25000000 0.46290651 0.02482590 1.0 Pd Pd50 1 0.25000000 0.46404086 0.35811246 1.0 Pd Pd51 1 0.25000000 0.46291558 0.69149469 1.0 Pd Pd52 1 0.75000000 0.16800868 0.27632479 1.0 Pd Pd53 1 0.75000000 0.16961784 0.60974583 1.0 Pd Pd54 1 0.75000000 0.16960822 0.94307749 1.0 Pd Pd55 1 0.75000000 0.66793532 0.22365505 1.0 Pd Pd56 1 0.75000000 0.66768442 0.55694565 1.0 Pd Pd57 1 0.75000000 0.66765023 0.89027240 1.0 Pd Pd58 1 0.25000000 0.83062367 0.05686225 1.0 Pd Pd59 1 0.25000000 0.83014937 0.39021393 1.0 Pd Pd60 1 0.25000000 0.83059837 0.72353530 1.0 Pd Pd61 1 0.25000000 0.33008165 0.10981748 1.0 Pd Pd62 1 0.25000000 0.33016811 0.44311832 1.0 Pd Pd63 1 0.25000000 0.33004063 0.77647420 1.0 Pd Pd64 1 0.25000000 0.89663854 0.64525732 1.0 Pd Pd65 1 0.25000000 0.89663393 0.97859305 1.0 Pd Pd66 1 0.75000000 0.60342362 0.14538230 1.0 Pd Pd67 1 0.75000000 0.60352397 0.47875360 1.0 Pd Pd68 1 0.75000000 0.60347154 0.81205364 1.0 Pd Pd69 1 0.75000000 0.10343343 0.02139402 1.0 Pd Pd70 1 0.75000000 0.10350492 0.35459818 1.0 Pd Pd71 1 0.75000000 0.10341823 0.68806065 1.0