# generated using pymatgen data_Mn7Ni(PO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.49313411 _cell_length_b 8.49734010 _cell_length_c 11.84578601 _cell_angle_alpha 89.99774273 _cell_angle_beta 89.99622273 _cell_angle_gamma 90.01785932 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn7Ni(PO4)12 _chemical_formula_sum 'Mn7 Ni1 P12 O48' _cell_volume 854.89906768 _cell_formula_units_Z 1 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 0.24973800 0.96550100 0.61774600 1.0 Mn Mn1 1 0.25062900 0.53447500 0.38172400 1.0 Mn Mn2 1 0.24967000 0.03493500 0.11772600 1.0 Mn Mn3 1 0.25017200 0.46482800 0.88281200 1.0 Mn Mn4 1 0.75016600 0.53467900 0.11773600 1.0 Mn Mn5 1 0.74962100 0.96538600 0.88241400 1.0 Mn Mn6 1 0.74957800 0.03505800 0.38160900 1.0 Ni Ni7 1 0.75007900 0.46406300 0.61740800 1.0 P P8 1 0.03678700 0.25088400 0.49940400 1.0 P P9 1 0.46306000 0.75009100 0.00008100 1.0 P P10 1 0.53688600 0.24993100 0.99995100 1.0 P P11 1 0.96264900 0.74939200 0.49967200 1.0 P P12 1 0.10729900 0.39193000 0.14536300 1.0 P P13 1 0.10714300 0.10810400 0.85488300 1.0 P P14 1 0.39291300 0.60700800 0.64536100 1.0 P P15 1 0.39240500 0.89212400 0.35453000 1.0 P P16 1 0.60823500 0.10734800 0.64588800 1.0 P P17 1 0.60773900 0.39098800 0.35456600 1.0 P P18 1 0.89317600 0.60772000 0.85434500 1.0 P P19 1 0.89263100 0.89188300 0.14522600 1.0 O O20 1 0.05917600 0.64109000 0.42273700 1.0 O O21 1 0.05946800 0.85926500 0.57592500 1.0 O O22 1 0.07435700 0.90103600 0.15863400 1.0 O O23 1 0.07489100 0.59952100 0.84179300 1.0 O O24 1 0.14907500 0.15939000 0.57939900 1.0 O O25 1 0.14636800 0.34100000 0.41750300 1.0 O O26 1 0.15920700 0.43839900 0.02664600 1.0 O O27 1 0.15944400 0.06123400 0.97323600 1.0 O O28 1 0.15345200 0.22245000 0.17606900 1.0 O O29 1 0.15385200 0.27759500 0.82420300 1.0 O O30 1 0.18017900 0.51358300 0.22758500 1.0 O O31 1 0.17902000 0.98715700 0.77178000 1.0 O O32 1 0.32053600 0.01355900 0.27199700 1.0 O O33 1 0.31920600 0.48618300 0.72752700 1.0 O O34 1 0.34528600 0.77704200 0.67635100 1.0 O O35 1 0.34653300 0.72245000 0.32371200 1.0 O O36 1 0.33924700 0.56170900 0.52701700 1.0 O O37 1 0.33983600 0.93818700 0.47313600 1.0 O O38 1 0.35347800 0.84103500 0.08132100 1.0 O O39 1 0.35335100 0.65915300 0.91873600 1.0 O O40 1 0.42622800 0.09706700 0.65830100 1.0 O O41 1 0.42532300 0.40054200 0.34062900 1.0 O O42 1 0.44068200 0.14086300 0.07663400 1.0 O O43 1 0.44085300 0.35970100 0.92343100 1.0 O O44 1 0.55930900 0.64069200 0.07646300 1.0 O O45 1 0.55918200 0.85936000 0.92328500 1.0 O O46 1 0.57255400 0.60446800 0.66034800 1.0 O O47 1 0.57430200 0.90100500 0.34200900 1.0 O O48 1 0.64708100 0.34077800 0.08077700 1.0 O O49 1 0.64611400 0.15879200 0.91852900 1.0 O O50 1 0.66047900 0.06276400 0.52667700 1.0 O O51 1 0.65537700 0.44169900 0.47109500 1.0 O O52 1 0.65368100 0.22162800 0.32280100 1.0 O O53 1 0.65290100 0.27404900 0.67954800 1.0 O O54 1 0.67693000 0.51301100 0.27044800 1.0 O O55 1 0.68018700 0.98492900 0.72791000 1.0 O O56 1 0.82057500 0.01339500 0.22777500 1.0 O O57 1 0.82084500 0.48479400 0.77513700 1.0 O O58 1 0.84649900 0.72224400 0.17625500 1.0 O O59 1 0.84787000 0.77762500 0.82422700 1.0 O O60 1 0.84136000 0.56252400 0.97361300 1.0 O O61 1 0.84011000 0.93848100 0.02683800 1.0 O O62 1 0.85343400 0.66360900 0.58258200 1.0 O O63 1 0.85397800 0.84084800 0.41807000 1.0 O O64 1 0.92546900 0.09896300 0.84161200 1.0 O O65 1 0.92565100 0.40127400 0.15894200 1.0 O O66 1 0.94060300 0.14102600 0.42292200 1.0 O O67 1 0.94588700 0.35650600 0.57939600 1.0