# generated using pymatgen data_Mn6O7F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63680761 _cell_length_b 5.64573025 _cell_length_c 15.34301240 _cell_angle_alpha 90.06680917 _cell_angle_beta 89.51096945 _cell_angle_gamma 91.39284109 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O7F5 _chemical_formula_sum 'Mn12 O14 F10' _cell_volume 401.51842582 _cell_formula_units_Z 2 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 0.04498500 0.15311300 0.41254000 1.0 Mn Mn1 1 0.01587200 0.82635100 0.25057200 1.0 Mn Mn2 1 0.00883600 0.17665600 0.08034400 1.0 Mn Mn3 1 0.00957700 0.17052000 0.74539300 1.0 Mn Mn4 1 0.98986500 0.84931300 0.57730100 1.0 Mn Mn5 1 0.05431000 0.84923100 0.91387200 1.0 Mn Mn6 1 0.49402700 0.34708900 0.58570900 1.0 Mn Mn7 1 0.48402600 0.35525100 0.92097100 1.0 Mn Mn8 1 0.48467400 0.36357700 0.25141200 1.0 Mn Mn9 1 0.51440600 0.62192100 0.08460900 1.0 Mn Mn10 1 0.47970600 0.64823100 0.42477500 1.0 Mn Mn11 1 0.48384200 0.64192300 0.75264500 1.0 O O12 1 0.23411400 0.11513700 0.30415000 1.0 O O13 1 0.21038300 0.11124000 0.63462400 1.0 O O14 1 0.23293800 0.12006800 0.96865300 1.0 O O15 1 0.22225800 0.88791300 0.46980800 1.0 O O16 1 0.22232100 0.89370900 0.80099900 1.0 O O17 1 0.27579800 0.39482500 0.14436500 1.0 O O18 1 0.28324300 0.60350900 0.31286500 1.0 O O19 1 0.27514000 0.38292300 0.47532600 1.0 O O20 1 0.27499300 0.40063600 0.81575400 1.0 O O21 1 0.29226600 0.60570100 0.97847800 1.0 O O22 1 0.71445900 0.38073100 0.02605400 1.0 O O23 1 0.72713400 0.60332000 0.19275900 1.0 O O24 1 0.70970400 0.62193400 0.52860200 1.0 O O25 1 0.71190700 0.38625700 0.69500200 1.0 F F26 1 0.25484800 0.88075100 0.13204400 1.0 F F27 1 0.23101200 0.60957700 0.64230200 1.0 F F28 1 0.74477400 0.37881600 0.35801100 1.0 F F29 1 0.75487100 0.61775200 0.86761200 1.0 F F30 1 0.75966500 0.11212700 0.19501600 1.0 F F31 1 0.77313000 0.12971400 0.51422000 1.0 F F32 1 0.75519700 0.88384600 0.36483400 1.0 F F33 1 0.78214700 0.86903500 0.02768400 1.0 F F34 1 0.75407500 0.12827800 0.86090900 1.0 F F35 1 0.73949700 0.87902300 0.68978500 1.0