# generated using pymatgen data_Mn6Si8Mo5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86024900 _cell_length_b 12.93046100 _cell_length_c 15.45954900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6Si8Mo5 _chemical_formula_sum 'Mn24 Si32 Mo20' _cell_volume 971.55937863 _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 0.99068600 0.63747700 0.82238700 1.0 Mn Mn1 1 0.00931400 0.36252300 0.17761300 1.0 Mn Mn2 1 0.00931400 0.86252300 0.32238700 1.0 Mn Mn3 1 0.49068600 0.36252300 0.17761300 1.0 Mn Mn4 1 0.99068600 0.13747700 0.67761300 1.0 Mn Mn5 1 0.50931400 0.63747700 0.82238700 1.0 Mn Mn6 1 0.50931400 0.13747700 0.67761300 1.0 Mn Mn7 1 0.49068600 0.86252300 0.32238700 1.0 Mn Mn8 1 0.75000000 0.63329500 0.65568000 1.0 Mn Mn9 1 0.25000000 0.36670500 0.34432000 1.0 Mn Mn10 1 0.25000000 0.86670500 0.15568000 1.0 Mn Mn11 1 0.75000000 0.13329500 0.84432000 1.0 Mn Mn12 1 0.75000000 0.81110400 0.74927000 1.0 Mn Mn13 1 0.25000000 0.18889600 0.25072900 1.0 Mn Mn14 1 0.25000000 0.68889600 0.24927100 1.0 Mn Mn15 1 0.75000000 0.31110400 0.75073000 1.0 Mn Mn16 1 0.49600900 0.94010500 0.87949900 1.0 Mn Mn17 1 0.50399100 0.05989500 0.12050100 1.0 Mn Mn18 1 0.50399100 0.55989500 0.37949900 1.0 Mn Mn19 1 0.99600900 0.05989500 0.12050100 1.0 Mn Mn20 1 0.49600900 0.44010500 0.62050100 1.0 Mn Mn21 1 0.00399100 0.94010500 0.87949900 1.0 Mn Mn22 1 0.00399100 0.44010500 0.62050100 1.0 Mn Mn23 1 0.99600900 0.55989500 0.37949900 1.0 Si Si24 1 0.75000000 0.91483300 0.19818400 1.0 Si Si25 1 0.25000000 0.08516700 0.80181600 1.0 Si Si26 1 0.25000000 0.58516700 0.69818400 1.0 Si Si27 1 0.75000000 0.41483300 0.30181600 1.0 Si Si28 1 0.75000000 0.99550300 0.75157800 1.0 Si Si29 1 0.25000000 0.00449700 0.24842200 1.0 Si Si30 1 0.25000000 0.50449700 0.25157800 1.0 Si Si31 1 0.75000000 0.49550300 0.74842200 1.0 Si Si32 1 0.75000000 0.70709400 0.30665000 1.0 Si Si33 1 0.25000000 0.29290600 0.69335000 1.0 Si Si34 1 0.25000000 0.79290600 0.80665000 1.0 Si Si35 1 0.75000000 0.20709400 0.19335000 1.0 Si Si36 1 0.75000000 0.94518000 0.43300200 1.0 Si Si37 1 0.25000000 0.05482000 0.56699800 1.0 Si Si38 1 0.25000000 0.55482000 0.93300200 1.0 Si Si39 1 0.75000000 0.44518000 0.06699800 1.0 Si Si40 1 0.00230900 0.78000800 0.62235000 1.0 Si Si41 1 0.99769100 0.21999200 0.37765000 1.0 Si Si42 1 0.99769100 0.71999200 0.12235000 1.0 Si Si43 1 0.50230900 0.21999200 0.37765000 1.0 Si Si44 1 0.00230900 0.28000800 0.87765000 1.0 Si Si45 1 0.49769100 0.78000800 0.62235000 1.0 Si Si46 1 0.49769100 0.28000800 0.87765000 1.0 Si Si47 1 0.50230900 0.71999200 0.12235000 1.0 Si Si48 1 0.75000000 0.77841700 0.89585000 1.0 Si Si49 1 0.25000000 0.22158300 0.10415000 1.0 Si Si50 1 0.25000000 0.72158300 0.39585000 1.0 Si Si51 1 0.75000000 0.27841700 0.60415000 1.0 Si Si52 1 0.75000000 0.55115400 0.51804400 1.0 Si Si53 1 0.25000000 0.44884600 0.48195600 1.0 Si Si54 1 0.25000000 0.94884600 0.01804400 1.0 Si Si55 1 0.75000000 0.05115400 0.98195600 1.0 Mo Mo56 1 0.75000000 0.62582500 0.99623100 1.0 Mo Mo57 1 0.25000000 0.37417500 0.00376900 1.0 Mo Mo58 1 0.25000000 0.87417500 0.49623100 1.0 Mo Mo59 1 0.75000000 0.12582500 0.50376900 1.0 Mo Mo60 1 0.75000000 0.36802400 0.45690900 1.0 Mo Mo61 1 0.25000000 0.63197600 0.54309100 1.0 Mo Mo62 1 0.25000000 0.13197600 0.95690900 1.0 Mo Mo63 1 0.75000000 0.86802400 0.04309100 1.0 Mo Mo64 1 0.75000000 0.74660000 0.47304200 1.0 Mo Mo65 1 0.25000000 0.25340000 0.52695800 1.0 Mo Mo66 1 0.25000000 0.75340000 0.97304200 1.0 Mo Mo67 1 0.75000000 0.24660000 0.02695800 1.0 Mo Mo68 1 0.75000000 0.95399600 0.59420300 1.0 Mo Mo69 1 0.25000000 0.04600400 0.40579700 1.0 Mo Mo70 1 0.25000000 0.54600400 0.09420300 1.0 Mo Mo71 1 0.75000000 0.45399600 0.90579700 1.0 Mo Mo72 1 0.75000000 0.56818800 0.19686400 1.0 Mo Mo73 1 0.25000000 0.43181200 0.80313600 1.0 Mo Mo74 1 0.25000000 0.93181200 0.69686400 1.0 Mo Mo75 1 0.75000000 0.06818800 0.30313600 1.0