# generated using pymatgen data_Mn6O7F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56245200 _cell_length_b 5.64424585 _cell_length_c 15.29040541 _cell_angle_alpha 89.79260511 _cell_angle_beta 89.64903018 _cell_angle_gamma 89.37962871 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O7F5 _chemical_formula_sum 'Mn12 O14 F10' _cell_volume 393.71946217 _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 0.01493100 0.15153300 0.40557500 1.0 Mn Mn1 1 0.02255000 0.83614400 0.24276800 1.0 Mn Mn2 1 0.99674700 0.15470900 0.07954000 1.0 Mn Mn3 1 0.02368800 0.16555800 0.74618900 1.0 Mn Mn4 1 0.99376000 0.84826300 0.57529100 1.0 Mn Mn5 1 0.05147100 0.85379300 0.91363600 1.0 Mn Mn6 1 0.50616100 0.34740900 0.59015000 1.0 Mn Mn7 1 0.48772800 0.35399400 0.92538200 1.0 Mn Mn8 1 0.50204200 0.36677000 0.25970800 1.0 Mn Mn9 1 0.50284500 0.64816700 0.08642200 1.0 Mn Mn10 1 0.49738400 0.65195900 0.42026600 1.0 Mn Mn11 1 0.49459300 0.63808100 0.75542000 1.0 O O12 1 0.23782800 0.11325900 0.30008300 1.0 O O13 1 0.21605300 0.11097800 0.63555800 1.0 O O14 1 0.23708900 0.11597000 0.97170100 1.0 O O15 1 0.21404600 0.88489100 0.13378800 1.0 O O16 1 0.21943100 0.88923400 0.46637000 1.0 O O17 1 0.23797400 0.89013800 0.80513300 1.0 O O18 1 0.27806200 0.60322100 0.31301000 1.0 O O19 1 0.28750100 0.39728400 0.81732000 1.0 O O20 1 0.28524400 0.61118700 0.97813700 1.0 O O21 1 0.72100300 0.37752100 0.03015200 1.0 O O22 1 0.72455500 0.61199200 0.19482400 1.0 O O23 1 0.72495800 0.38273900 0.36162400 1.0 O O24 1 0.71300200 0.61880500 0.52980600 1.0 O O25 1 0.72448300 0.38323100 0.69661500 1.0 F F26 1 0.25535500 0.38123000 0.15322000 1.0 F F27 1 0.25479000 0.37966800 0.48484400 1.0 F F28 1 0.23668800 0.61135500 0.64546100 1.0 F F29 1 0.76385400 0.61780000 0.86791900 1.0 F F30 1 0.74750600 0.12753800 0.19088300 1.0 F F31 1 0.75533700 0.11918700 0.51195900 1.0 F F32 1 0.77406900 0.87557700 0.34718400 1.0 F F33 1 0.77804000 0.87948900 0.01419600 1.0 F F34 1 0.77059400 0.12699300 0.85889300 1.0 F F35 1 0.74863500 0.87433500 0.69097200 1.0