# generated using pymatgen data_Mn7(PbO5)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.27942861 _cell_length_b 10.27942861 _cell_length_c 13.83318200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.70681137 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn7(PbO5)3 _chemical_formula_sum 'Mn28 Pb12 O60' _cell_volume 1256.76252959 _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 0.33482300 0.16907100 0.49990400 1.0 Mn Mn1 1 0.33482300 0.16907100 0.00009600 1.0 Mn Mn2 1 0.66342800 0.33069000 0.35331700 1.0 Mn Mn3 1 0.16620300 0.83379700 0.50000000 1.0 Mn Mn4 1 0.33657200 0.66931000 0.64668300 1.0 Mn Mn5 1 0.66517700 0.83092900 0.50009600 1.0 Mn Mn6 1 0.00000000 0.50000000 0.50000000 1.0 Mn Mn7 1 0.66342800 0.33069000 0.14668300 1.0 Mn Mn8 1 0.66517700 0.83092900 0.99990400 1.0 Mn Mn9 1 0.83379700 0.16620300 0.00000000 1.0 Mn Mn10 1 0.50000000 0.50000000 0.50000000 1.0 Mn Mn11 1 0.50000000 0.50000000 0.00000000 1.0 Mn Mn12 1 0.83092900 0.66517700 0.50009600 1.0 Mn Mn13 1 0.50000000 0.00000000 0.50000000 1.0 Mn Mn14 1 0.33657200 0.66931000 0.85331700 1.0 Mn Mn15 1 0.33069000 0.66342800 0.35331700 1.0 Mn Mn16 1 0.50000000 0.00000000 0.00000000 1.0 Mn Mn17 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn18 1 0.66931000 0.33657200 0.64668300 1.0 Mn Mn19 1 0.33069000 0.66342800 0.14668300 1.0 Mn Mn20 1 0.16907100 0.33482300 0.49990400 1.0 Mn Mn21 1 0.00000000 0.50000000 0.00000000 1.0 Mn Mn22 1 0.83092900 0.66517700 0.99990400 1.0 Mn Mn23 1 0.66931000 0.33657200 0.85331700 1.0 Mn Mn24 1 0.16620300 0.83379700 0.00000000 1.0 Mn Mn25 1 0.16907100 0.33482300 0.00009600 1.0 Mn Mn26 1 0.83379700 0.16620300 0.50000000 1.0 Mn Mn27 1 0.00000000 0.00000000 0.50000000 1.0 Pb Pb28 1 0.00322800 0.27171300 0.75000000 1.0 Pb Pb29 1 0.26333400 0.26333400 0.25000000 1.0 Pb Pb30 1 0.38721700 0.99730500 0.25000000 1.0 Pb Pb31 1 0.39506900 0.39506900 0.75000000 1.0 Pb Pb32 1 0.73666600 0.73666600 0.75000000 1.0 Pb Pb33 1 0.27171300 0.00322800 0.75000000 1.0 Pb Pb34 1 0.99677200 0.72828700 0.25000000 1.0 Pb Pb35 1 0.00269500 0.61278300 0.75000000 1.0 Pb Pb36 1 0.72828700 0.99677200 0.25000000 1.0 Pb Pb37 1 0.61278300 0.00269500 0.75000000 1.0 Pb Pb38 1 0.99730500 0.38721700 0.25000000 1.0 Pb Pb39 1 0.60493100 0.60493100 0.25000000 1.0 O O40 1 0.48683400 0.33176600 0.92279000 1.0 O O41 1 0.83654400 0.99992800 0.57166600 1.0 O O42 1 0.16280700 0.64511500 0.25000000 1.0 O O43 1 0.35488500 0.83719300 0.75000000 1.0 O O44 1 0.67349200 0.99684100 0.07412600 1.0 O O45 1 0.66823400 0.51316600 0.42279000 1.0 O O46 1 0.81916100 0.46967100 0.25000000 1.0 O O47 1 0.51316600 0.66823400 0.42279000 1.0 O O48 1 0.16345600 0.00007200 0.42833400 1.0 O O49 1 0.46967100 0.81916100 0.25000000 1.0 O O50 1 0.32650800 0.00315900 0.92587400 1.0 O O51 1 0.51316600 0.66823400 0.07721000 1.0 O O52 1 0.32728500 0.32728500 0.07448700 1.0 O O53 1 0.00007200 0.16345600 0.42833400 1.0 O O54 1 0.64511500 0.16280700 0.25000000 1.0 O O55 1 0.32650800 0.00315900 0.57412600 1.0 O O56 1 0.51127500 0.83742400 0.92219400 1.0 O O57 1 0.00007200 0.16345600 0.07166600 1.0 O O58 1 0.53032900 0.18083900 0.75000000 1.0 O O59 1 0.48683400 0.33176600 0.57721000 1.0 O O60 1 0.16345600 0.00007200 0.07166600 1.0 O O61 1 0.65470700 0.48471700 0.75000000 1.0 O O62 1 0.00315900 0.32650800 0.92587400 1.0 O O63 1 0.99992800 0.83654400 0.57166600 1.0 O O64 1 0.83654400 0.99992800 0.92833400 1.0 O O65 1 0.15461100 0.67059800 0.57702900 1.0 O O66 1 0.66823400 0.51316600 0.07721000 1.0 O O67 1 0.99992800 0.83654400 0.92833400 1.0 O O68 1 0.83742400 0.51127500 0.92219400 1.0 O O69 1 0.67059800 0.15461100 0.92297100 1.0 O O70 1 0.16416800 0.16416800 0.57151600 1.0 O O71 1 0.16257600 0.48872500 0.42219400 1.0 O O72 1 0.83742400 0.51127500 0.57780600 1.0 O O73 1 0.33176600 0.48683400 0.92279000 1.0 O O74 1 0.67059800 0.15461100 0.57702900 1.0 O O75 1 0.48872500 0.16257600 0.07780600 1.0 O O76 1 0.18083900 0.53032900 0.75000000 1.0 O O77 1 0.99684100 0.67349200 0.42587400 1.0 O O78 1 0.32940200 0.84538900 0.42297100 1.0 O O79 1 0.84538900 0.32940200 0.42297100 1.0 O O80 1 0.15461100 0.67059800 0.92297100 1.0 O O81 1 0.83583200 0.83583200 0.42848400 1.0 O O82 1 0.67349200 0.99684100 0.42587400 1.0 O O83 1 0.67271500 0.67271500 0.57448700 1.0 O O84 1 0.83719300 0.35488500 0.75000000 1.0 O O85 1 0.48471700 0.65470700 0.75000000 1.0 O O86 1 0.33176600 0.48683400 0.57721000 1.0 O O87 1 0.16416800 0.16416800 0.92848400 1.0 O O88 1 0.83583200 0.83583200 0.07151600 1.0 O O89 1 0.84538900 0.32940200 0.07702900 1.0 O O90 1 0.51528400 0.34529300 0.25000000 1.0 O O91 1 0.32940200 0.84538900 0.07702900 1.0 O O92 1 0.99684100 0.67349200 0.07412600 1.0 O O93 1 0.00315900 0.32650800 0.57412600 1.0 O O94 1 0.48872500 0.16257600 0.42219400 1.0 O O95 1 0.34529300 0.51528400 0.25000000 1.0 O O96 1 0.16257600 0.48872500 0.07780600 1.0 O O97 1 0.32728500 0.32728500 0.42551300 1.0 O O98 1 0.51127500 0.83742400 0.57780600 1.0 O O99 1 0.67271500 0.67271500 0.92551300 1.0