# generated using pymatgen data_Fe7Te(PO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76975400 _cell_length_b 8.77863961 _cell_length_c 12.18839214 _cell_angle_alpha 89.98847906 _cell_angle_beta 89.86093938 _cell_angle_gamma 89.94804725 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe7Te(PO4)12 _chemical_formula_sum 'Fe7 Te1 P12 O48' _cell_volume 938.33860319 _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 Fe Fe0 1 0.03734100 0.25086100 0.61921400 1.0 Fe Fe1 1 0.46528400 0.24912100 0.38288200 1.0 Fe Fe2 1 0.96380500 0.24928200 0.11960100 1.0 Fe Fe3 1 0.53521500 0.24833100 0.87860900 1.0 Fe Fe4 1 0.46331200 0.75206100 0.11752100 1.0 Fe Fe5 1 0.03777500 0.75219700 0.87880900 1.0 Fe Fe6 1 0.96613300 0.74921300 0.38096400 1.0 Te Te7 1 0.53482700 0.75010700 0.61618000 1.0 P P8 1 0.75212600 0.03614100 0.49957900 1.0 P P9 1 0.25013000 0.46465400 0.99993600 1.0 P P10 1 0.74953700 0.53569500 0.00069200 1.0 P P11 1 0.25145500 0.96254200 0.49933400 1.0 P P12 1 0.60565300 0.10714400 0.14466500 1.0 P P13 1 0.89473300 0.10807100 0.85461600 1.0 P P14 1 0.39591800 0.39420200 0.64407400 1.0 P P15 1 0.10694200 0.39260800 0.35570600 1.0 P P16 1 0.89057600 0.60609900 0.64351100 1.0 P P17 1 0.60739500 0.60735100 0.35150400 1.0 P P18 1 0.39222900 0.89262200 0.85255900 1.0 P P19 1 0.10636900 0.89236500 0.14413800 1.0 O O20 1 0.36127500 0.05505300 0.42944600 1.0 O O21 1 0.15327100 0.06199800 0.57536100 1.0 O O22 1 0.09406500 0.06767100 0.15092700 1.0 O O23 1 0.40919500 0.06592400 0.84344700 1.0 O O24 1 0.84712100 0.13320900 0.57804000 1.0 O O25 1 0.65582300 0.14152800 0.42886200 1.0 O O26 1 0.56029000 0.16573700 0.03056200 1.0 O O27 1 0.93865300 0.16483200 0.96937100 1.0 O O28 1 0.77182700 0.15202400 0.17036800 1.0 O O29 1 0.72864400 0.15331300 0.83008500 1.0 O O30 1 0.49580800 0.17474000 0.23018600 1.0 O O31 1 0.00579600 0.17935700 0.77145900 1.0 O O32 1 0.99722000 0.32116200 0.27202800 1.0 O O33 1 0.50736900 0.32957100 0.72830800 1.0 O O34 1 0.22912900 0.35633100 0.66851500 1.0 O O35 1 0.27211000 0.34458900 0.33165400 1.0 O O36 1 0.44385800 0.34493200 0.52933400 1.0 O O37 1 0.05954900 0.33786000 0.47033400 1.0 O O38 1 0.15342500 0.36076800 0.07409400 1.0 O O39 1 0.34738900 0.36164900 0.92629200 1.0 O O40 1 0.89898100 0.43154800 0.65272500 1.0 O O41 1 0.59263800 0.43307800 0.34515300 1.0 O O42 1 0.85137800 0.43714200 0.07546000 1.0 O O43 1 0.65015100 0.43712700 0.92517500 1.0 O O44 1 0.34953600 0.56432400 0.07529200 1.0 O O45 1 0.14888300 0.56304000 0.92462300 1.0 O O46 1 0.40351200 0.57743600 0.65466300 1.0 O O47 1 0.09428100 0.56714100 0.34626500 1.0 O O48 1 0.65200400 0.63706400 0.07569600 1.0 O O49 1 0.84717000 0.64050700 0.92745700 1.0 O O50 1 0.92564800 0.66403700 0.52925900 1.0 O O51 1 0.56112300 0.65771300 0.47286800 1.0 O O52 1 0.77205000 0.65381000 0.32825100 1.0 O O53 1 0.71770200 0.65114700 0.67573800 1.0 O O54 1 0.49264400 0.68384900 0.27400700 1.0 O O55 1 0.99604900 0.67815500 0.72803000 1.0 O O56 1 0.99593600 0.82320700 0.22835800 1.0 O O57 1 0.51319100 0.81848700 0.76779500 1.0 O O58 1 0.27272100 0.84881700 0.16997900 1.0 O O59 1 0.23020800 0.84470900 0.82282800 1.0 O O60 1 0.44235600 0.83261200 0.96420700 1.0 O O61 1 0.06326700 0.83627500 0.02924300 1.0 O O62 1 0.34343700 0.85402300 0.58233000 1.0 O O63 1 0.15555800 0.85638100 0.42828300 1.0 O O64 1 0.90720300 0.93328000 0.84832300 1.0 O O65 1 0.59504300 0.93115700 0.14902500 1.0 O O66 1 0.84605900 0.93190800 0.42644400 1.0 O O67 1 0.64269800 0.93911500 0.57975400 1.0