# generated using pymatgen data_Mn7(P2O7)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60516336 _cell_length_b 6.60516336 _cell_length_c 23.95444300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.85001536 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn7(P2O7)4 _chemical_formula_sum 'Mn14 P16 O56' _cell_volume 1035.29528700 _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 0.07247600 0.07247600 0.00000000 1.0 Mn Mn1 1 0.03725800 0.32505500 0.13555300 1.0 Mn Mn2 1 0.32505500 0.03725800 0.86444700 1.0 Mn Mn3 1 0.30978900 0.30978900 0.50000000 1.0 Mn Mn4 1 0.57996700 0.28420500 0.62335000 1.0 Mn Mn5 1 0.28420500 0.57996700 0.37665000 1.0 Mn Mn6 1 0.72154100 0.27845900 0.25000000 1.0 Mn Mn7 1 0.27845900 0.72154100 0.75000000 1.0 Mn Mn8 1 0.42003300 0.71579500 0.12335000 1.0 Mn Mn9 1 0.71579500 0.42003300 0.87665000 1.0 Mn Mn10 1 0.69021100 0.69021100 0.00000000 1.0 Mn Mn11 1 0.96274200 0.67494500 0.63555300 1.0 Mn Mn12 1 0.67494500 0.96274200 0.36444700 1.0 Mn Mn13 1 0.92752400 0.92752400 0.50000000 1.0 P P14 1 0.18067400 0.07276800 0.37638100 1.0 P P15 1 0.07276800 0.18067400 0.62361900 1.0 P P16 1 0.22154600 0.29779900 0.26805800 1.0 P P17 1 0.29779900 0.22154600 0.73194200 1.0 P P18 1 0.52366900 0.24100600 0.11896500 1.0 P P19 1 0.24100600 0.52366900 0.88103500 1.0 P P20 1 0.18796000 0.59634300 0.00509000 1.0 P P21 1 0.59634300 0.18796000 0.99491000 1.0 P P22 1 0.40365700 0.81204000 0.49491000 1.0 P P23 1 0.81204000 0.40365700 0.50509000 1.0 P P24 1 0.75899400 0.47633100 0.38103500 1.0 P P25 1 0.47633100 0.75899400 0.61896500 1.0 P P26 1 0.70220100 0.77845400 0.23194200 1.0 P P27 1 0.77845400 0.70220100 0.76805800 1.0 P P28 1 0.92723200 0.81932600 0.12361900 1.0 P P29 1 0.81932600 0.92723200 0.87638100 1.0 O O30 1 0.02615300 0.01024200 0.90265700 1.0 O O31 1 0.01024200 0.02615300 0.09734300 1.0 O O32 1 0.12289200 0.12916900 0.31350600 1.0 O O33 1 0.12916900 0.12289200 0.68649400 1.0 O O34 1 0.04394700 0.29769000 0.22626800 1.0 O O35 1 0.29769000 0.04394700 0.77373200 1.0 O O36 1 0.42530700 0.02128300 0.11988100 1.0 O O37 1 0.02128300 0.42530700 0.88011900 1.0 O O38 1 0.09870300 0.38253800 0.02296600 1.0 O O39 1 0.38253800 0.09870300 0.97703400 1.0 O O40 1 0.28117800 0.27009100 0.40522800 1.0 O O41 1 0.27009100 0.28117800 0.59477200 1.0 O O42 1 0.22771000 0.40790000 0.75774700 1.0 O O43 1 0.40790000 0.22771000 0.24225300 1.0 O O44 1 0.08346500 0.66600000 0.12796900 1.0 O O45 1 0.66600000 0.08346500 0.87203100 1.0 O O46 1 0.36617900 0.39154900 0.12868600 1.0 O O47 1 0.39154900 0.36617900 0.87131400 1.0 O O48 1 0.02619500 0.74135000 0.00356400 1.0 O O49 1 0.74135000 0.02619500 0.99643600 1.0 O O50 1 0.26861500 0.50425000 0.29908400 1.0 O O51 1 0.50425000 0.26861500 0.70091600 1.0 O O52 1 0.60249300 0.29461300 0.05542900 1.0 O O53 1 0.29461300 0.60249300 0.94457100 1.0 O O54 1 0.31638800 0.61787500 0.46081600 1.0 O O55 1 0.61787500 0.31638800 0.53918400 1.0 O O56 1 0.28468200 0.70699100 0.65480400 1.0 O O57 1 0.70699100 0.28468200 0.34519600 1.0 O O58 1 0.71531800 0.29300900 0.15480400 1.0 O O59 1 0.29300900 0.71531800 0.84519600 1.0 O O60 1 0.68361200 0.38212500 0.96081600 1.0 O O61 1 0.38212500 0.68361200 0.03918400 1.0 O O62 1 0.70538700 0.39750700 0.44457100 1.0 O O63 1 0.39750700 0.70538700 0.55542900 1.0 O O64 1 0.49575000 0.73138500 0.20091600 1.0 O O65 1 0.73138500 0.49575000 0.79908400 1.0 O O66 1 0.97380500 0.25865000 0.50356400 1.0 O O67 1 0.25865000 0.97380500 0.49643600 1.0 O O68 1 0.60845100 0.63382100 0.37131400 1.0 O O69 1 0.63382100 0.60845100 0.62868600 1.0 O O70 1 0.91653500 0.33400000 0.62796900 1.0 O O71 1 0.33400000 0.91653500 0.37203100 1.0 O O72 1 0.77229000 0.59210000 0.25774700 1.0 O O73 1 0.59210000 0.77229000 0.74225300 1.0 O O74 1 0.72990900 0.71882200 0.09477200 1.0 O O75 1 0.71882200 0.72990900 0.90522800 1.0 O O76 1 0.90129700 0.61746200 0.52296600 1.0 O O77 1 0.61746200 0.90129700 0.47703400 1.0 O O78 1 0.97871700 0.57469300 0.38011900 1.0 O O79 1 0.57469300 0.97871700 0.61988100 1.0 O O80 1 0.95605300 0.70231000 0.72626800 1.0 O O81 1 0.70231000 0.95605300 0.27373200 1.0 O O82 1 0.87083100 0.87710800 0.18649400 1.0 O O83 1 0.87710800 0.87083100 0.81350600 1.0 O O84 1 0.98975800 0.97384700 0.59734300 1.0 O O85 1 0.97384700 0.98975800 0.40265700 1.0