# generated using pymatgen data_Mn7(Si2Mo)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85879400 _cell_length_b 12.82305000 _cell_length_c 15.35925600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn7(Si2Mo)4 _chemical_formula_sum 'Mn28 Si32 Mo16' _cell_volume 956.95166246 _cell_formula_units_Z 4 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 0.75000000 0.18992200 0.25089600 1.0 Mn Mn1 1 0.75000000 0.68992200 0.24910400 1.0 Mn Mn2 1 0.25000000 0.81007800 0.74910400 1.0 Mn Mn3 1 0.25000000 0.31007800 0.75089600 1.0 Mn Mn4 1 0.01022900 0.13638100 0.82253000 1.0 Mn Mn5 1 0.48977100 0.63638100 0.67747000 1.0 Mn Mn6 1 0.51022900 0.86361900 0.17747000 1.0 Mn Mn7 1 0.98977100 0.36361900 0.32253000 1.0 Mn Mn8 1 0.98977100 0.86361900 0.17747000 1.0 Mn Mn9 1 0.51022900 0.36361900 0.32253000 1.0 Mn Mn10 1 0.48977100 0.13638100 0.82253000 1.0 Mn Mn11 1 0.01022900 0.63638100 0.67747000 1.0 Mn Mn12 1 0.75000000 0.36534700 0.15469100 1.0 Mn Mn13 1 0.75000000 0.86534700 0.34530900 1.0 Mn Mn14 1 0.25000000 0.63465300 0.84530900 1.0 Mn Mn15 1 0.25000000 0.13465300 0.65469100 1.0 Mn Mn16 1 0.99562800 0.43949700 0.87947000 1.0 Mn Mn17 1 0.50437200 0.93949700 0.62053000 1.0 Mn Mn18 1 0.49562800 0.56050300 0.12053000 1.0 Mn Mn19 1 0.00437200 0.06050300 0.37947000 1.0 Mn Mn20 1 0.00437200 0.56050300 0.12053000 1.0 Mn Mn21 1 0.49562800 0.06050300 0.37947000 1.0 Mn Mn22 1 0.50437200 0.43949700 0.87947000 1.0 Mn Mn23 1 0.99562800 0.93949700 0.62053000 1.0 Mn Mn24 1 0.75000000 0.37313200 0.49722400 1.0 Mn Mn25 1 0.75000000 0.87313200 0.00277600 1.0 Mn Mn26 1 0.25000000 0.62686800 0.50277600 1.0 Mn Mn27 1 0.25000000 0.12686800 0.99722400 1.0 Si Si28 1 0.75000000 0.44801200 0.01819500 1.0 Si Si29 1 0.75000000 0.94801200 0.48180500 1.0 Si Si30 1 0.25000000 0.55198800 0.98180500 1.0 Si Si31 1 0.25000000 0.05198800 0.51819500 1.0 Si Si32 1 0.75000000 0.08816700 0.69779700 1.0 Si Si33 1 0.75000000 0.58816700 0.80220300 1.0 Si Si34 1 0.25000000 0.91183300 0.30220300 1.0 Si Si35 1 0.25000000 0.41183300 0.19779700 1.0 Si Si36 1 0.75000000 0.22577100 0.39768900 1.0 Si Si37 1 0.75000000 0.72577100 0.10231100 1.0 Si Si38 1 0.25000000 0.77422900 0.60231100 1.0 Si Si39 1 0.25000000 0.27422900 0.89768900 1.0 Si Si40 1 0.75000000 0.05506300 0.93443900 1.0 Si Si41 1 0.75000000 0.55506300 0.56556100 1.0 Si Si42 1 0.25000000 0.94493700 0.06556100 1.0 Si Si43 1 0.25000000 0.44493700 0.43443900 1.0 Si Si44 1 0.75000000 0.00444400 0.25164900 1.0 Si Si45 1 0.75000000 0.50444400 0.24835100 1.0 Si Si46 1 0.25000000 0.99555600 0.74835100 1.0 Si Si47 1 0.25000000 0.49555600 0.75164900 1.0 Si Si48 1 0.99751200 0.28268200 0.62085800 1.0 Si Si49 1 0.50248800 0.78268200 0.87914200 1.0 Si Si50 1 0.49751200 0.71731800 0.37914200 1.0 Si Si51 1 0.00248800 0.21731800 0.12085800 1.0 Si Si52 1 0.00248800 0.71731800 0.37914200 1.0 Si Si53 1 0.49751200 0.21731800 0.12085800 1.0 Si Si54 1 0.50248800 0.28268200 0.62085800 1.0 Si Si55 1 0.99751200 0.78268200 0.87914200 1.0 Si Si56 1 0.75000000 0.29181200 0.80556100 1.0 Si Si57 1 0.75000000 0.79181200 0.69443900 1.0 Si Si58 1 0.25000000 0.70818800 0.19443900 1.0 Si Si59 1 0.25000000 0.20818800 0.30556100 1.0 Mo Mo60 1 0.75000000 0.43261200 0.69629000 1.0 Mo Mo61 1 0.75000000 0.93261200 0.80371000 1.0 Mo Mo62 1 0.25000000 0.56738800 0.30371000 1.0 Mo Mo63 1 0.25000000 0.06738800 0.19629000 1.0 Mo Mo64 1 0.75000000 0.13358800 0.54189700 1.0 Mo Mo65 1 0.75000000 0.63358800 0.95810300 1.0 Mo Mo66 1 0.25000000 0.86641200 0.45810300 1.0 Mo Mo67 1 0.25000000 0.36641200 0.04189700 1.0 Mo Mo68 1 0.75000000 0.25391800 0.97360900 1.0 Mo Mo69 1 0.75000000 0.75391800 0.52639100 1.0 Mo Mo70 1 0.25000000 0.74608200 0.02639100 1.0 Mo Mo71 1 0.25000000 0.24608200 0.47360900 1.0 Mo Mo72 1 0.75000000 0.04370700 0.09280400 1.0 Mo Mo73 1 0.75000000 0.54370700 0.40719600 1.0 Mo Mo74 1 0.25000000 0.95629300 0.90719600 1.0 Mo Mo75 1 0.25000000 0.45629300 0.59280400 1.0