# generated using pymatgen data_ZnFe2(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95641600 _cell_length_b 4.89371600 _cell_length_c 29.86220092 _cell_angle_alpha 89.98575769 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnFe2(PO4)3 _chemical_formula_sum 'Zn4 Fe8 P12 O48' _cell_volume 870.45351511 _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 Zn Zn0 1 0.00000000 0.45726700 0.92491000 1.0 Zn Zn1 1 0.50000000 0.95716300 0.90850800 1.0 Zn Zn2 1 0.00000000 0.45231900 0.59175600 1.0 Zn Zn3 1 0.00000000 0.45258400 0.25861300 1.0 Fe Fe4 1 0.00000000 0.03671800 0.75787600 1.0 Fe Fe5 1 0.50000000 0.53568800 0.74178800 1.0 Fe Fe6 1 0.50000000 0.96587500 0.57526200 1.0 Fe Fe7 1 0.00000000 0.03277900 0.42511800 1.0 Fe Fe8 1 0.50000000 0.53414500 0.40908100 1.0 Fe Fe9 1 0.50000000 0.96620500 0.24204200 1.0 Fe Fe10 1 0.00000000 0.03464200 0.09193800 1.0 Fe Fe11 1 0.50000000 0.53633500 0.07582800 1.0 P P12 1 0.50000000 0.41642800 0.96885200 1.0 P P13 1 0.00000000 0.91639600 0.86452000 1.0 P P14 1 0.50000000 0.08319000 0.80078400 1.0 P P15 1 0.00000000 0.58264000 0.69897800 1.0 P P16 1 0.50000000 0.41218800 0.63412200 1.0 P P17 1 0.00000000 0.92552600 0.53208600 1.0 P P18 1 0.50000000 0.08233000 0.46809000 1.0 P P19 1 0.00000000 0.58210600 0.36590700 1.0 P P20 1 0.50000000 0.41143300 0.30092500 1.0 P P21 1 0.00000000 0.92533400 0.19893700 1.0 P P22 1 0.50000000 0.08187500 0.13474400 1.0 P P23 1 0.00000000 0.58277400 0.03294800 1.0 O O24 1 0.00000000 0.66018200 0.98320100 1.0 O O25 1 0.50000000 0.72841600 0.96367600 1.0 O O26 1 0.29773800 0.27248600 0.94508900 1.0 O O27 1 0.70226200 0.27248600 0.94508900 1.0 O O28 1 0.79757800 0.77209500 0.88820500 1.0 O O29 1 0.20242200 0.77209500 0.88820500 1.0 O O30 1 0.00000000 0.22928500 0.86955500 1.0 O O31 1 0.50000000 0.16228800 0.85038100 1.0 O O32 1 0.00000000 0.84684900 0.81423000 1.0 O O33 1 0.50000000 0.77429200 0.79379200 1.0 O O34 1 0.29952100 0.22598500 0.77501000 1.0 O O35 1 0.70047900 0.22598500 0.77501000 1.0 O O36 1 0.79879700 0.72626600 0.72440100 1.0 O O37 1 0.20120300 0.72626600 0.72440100 1.0 O O38 1 0.00000000 0.27349800 0.70634100 1.0 O O39 1 0.50000000 0.35288900 0.68455600 1.0 O O40 1 0.00000000 0.65358700 0.64928700 1.0 O O41 1 0.50000000 0.71982900 0.62627000 1.0 O O42 1 0.30137200 0.25980200 0.60975100 1.0 O O43 1 0.69862800 0.25980200 0.60975100 1.0 O O44 1 0.20473900 0.78716300 0.55627600 1.0 O O45 1 0.79526100 0.78716300 0.55627600 1.0 O O46 1 0.00000000 0.23690300 0.53578300 1.0 O O47 1 0.50000000 0.15685200 0.51773400 1.0 O O48 1 0.00000000 0.84714300 0.48198900 1.0 O O49 1 0.50000000 0.77282000 0.46110600 1.0 O O50 1 0.29878400 0.22637200 0.44281200 1.0 O O51 1 0.70121600 0.22637200 0.44281200 1.0 O O52 1 0.79871200 0.72622900 0.39142400 1.0 O O53 1 0.20128800 0.72622900 0.39142400 1.0 O O54 1 0.00000000 0.27314000 0.37370100 1.0 O O55 1 0.50000000 0.35267300 0.35141500 1.0 O O56 1 0.00000000 0.65325100 0.31625400 1.0 O O57 1 0.50000000 0.71946700 0.29308200 1.0 O O58 1 0.30159900 0.25982800 0.27657300 1.0 O O59 1 0.69840100 0.25982800 0.27657300 1.0 O O60 1 0.20430000 0.78737000 0.22296000 1.0 O O61 1 0.79570000 0.78737000 0.22296000 1.0 O O62 1 0.00000000 0.23671500 0.20252300 1.0 O O63 1 0.50000000 0.15508200 0.18431900 1.0 O O64 1 0.00000000 0.84727900 0.14876300 1.0 O O65 1 0.50000000 0.77253400 0.12770600 1.0 O O66 1 0.29858100 0.22570900 0.10956800 1.0 O O67 1 0.70141900 0.22570900 0.10956800 1.0 O O68 1 0.79919900 0.72560700 0.05856600 1.0 O O69 1 0.20080100 0.72560700 0.05856600 1.0 O O70 1 0.00000000 0.27409500 0.04026100 1.0 O O71 1 0.50000000 0.34716700 0.01919300 1.0