# generated using pymatgen data_Li8Fe7Cu(PO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.67144200 _cell_length_b 8.81127368 _cell_length_c 12.23813295 _cell_angle_alpha 89.99616733 _cell_angle_beta 89.95412829 _cell_angle_gamma 89.95530794 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li8Fe7Cu(PO4)12 _chemical_formula_sum 'Li8 Fe7 Cu1 P12 O48' _cell_volume 935.07169075 _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 Li Li0 1 0.21656200 0.72211200 0.18178500 1.0 Li Li1 1 0.21654300 0.77787600 0.81849000 1.0 Li Li2 1 0.28337500 0.22200300 0.31842900 1.0 Li Li3 1 0.28376100 0.27802900 0.68141400 1.0 Li Li4 1 0.71569800 0.72180000 0.31871800 1.0 Li Li5 1 0.71640200 0.77636700 0.68185100 1.0 Li Li6 1 0.78404500 0.22197700 0.18182900 1.0 Li Li7 1 0.78437500 0.27784800 0.81638600 1.0 Fe Fe8 1 0.24923600 0.95924200 0.61350100 1.0 Fe Fe9 1 0.24927400 0.54066300 0.38687200 1.0 Fe Fe10 1 0.25038500 0.04122600 0.11289400 1.0 Fe Fe11 1 0.24997200 0.45868800 0.88674300 1.0 Fe Fe12 1 0.74985100 0.54122900 0.11239200 1.0 Fe Fe13 1 0.74955500 0.95917300 0.88675200 1.0 Fe Fe14 1 0.75071800 0.04046400 0.38665200 1.0 Cu Cu15 1 0.75323300 0.45865800 0.61024300 1.0 P P16 1 0.10615600 0.39295100 0.14683700 1.0 P P17 1 0.10605200 0.10647300 0.85283300 1.0 P P18 1 0.39509800 0.60533300 0.64668000 1.0 P P19 1 0.39362000 0.89309600 0.35311000 1.0 P P20 1 0.60583300 0.10758900 0.64613900 1.0 P P21 1 0.60713700 0.39244100 0.35330800 1.0 P P22 1 0.89446100 0.60739500 0.85181400 1.0 P P23 1 0.89397900 0.89278900 0.14674500 1.0 P P24 1 0.03820700 0.25111100 0.50001500 1.0 P P25 1 0.46032700 0.74993100 0.99991700 1.0 P P26 1 0.54005200 0.25013100 0.99990200 1.0 P P27 1 0.95936100 0.74852600 0.49926300 1.0 O O28 1 0.05611700 0.64111300 0.42930500 1.0 O O29 1 0.05664400 0.85596100 0.56998100 1.0 O O30 1 0.07267100 0.89534000 0.15513900 1.0 O O31 1 0.07312900 0.60476100 0.84341400 1.0 O O32 1 0.14847000 0.16328300 0.57824200 1.0 O O33 1 0.14797800 0.33795100 0.42119300 1.0 O O34 1 0.15681500 0.43362100 0.03056600 1.0 O O35 1 0.15755000 0.06610100 0.96905700 1.0 O O36 1 0.16312900 0.23281200 0.18006200 1.0 O O37 1 0.16353500 0.26660300 0.81983800 1.0 O O38 1 0.17372400 0.51329200 0.22639000 1.0 O O39 1 0.17323400 0.98596800 0.77311000 1.0 O O40 1 0.32654000 0.01362900 0.27365100 1.0 O O41 1 0.32735100 0.48552200 0.72625600 1.0 O O42 1 0.33798600 0.76623400 0.67972600 1.0 O O43 1 0.33621500 0.73291900 0.32031100 1.0 O O44 1 0.34401000 0.56524500 0.53059100 1.0 O O45 1 0.34173800 0.93347400 0.46955800 1.0 O O46 1 0.35112400 0.83749900 0.07855200 1.0 O O47 1 0.35106500 0.66239200 0.92151500 1.0 O O48 1 0.42689600 0.10427300 0.65483700 1.0 O O49 1 0.42791700 0.39503000 0.34421900 1.0 O O50 1 0.44308200 0.14302000 0.07039500 1.0 O O51 1 0.44255000 0.35728800 0.92995300 1.0 O O52 1 0.55734400 0.64282500 0.07035100 1.0 O O53 1 0.55724500 0.85716100 0.92954000 1.0 O O54 1 0.57374400 0.60747800 0.65705200 1.0 O O55 1 0.57220600 0.89549900 0.34515100 1.0 O O56 1 0.64927000 0.33753800 0.07850100 1.0 O O57 1 0.64910100 0.16281100 0.92117400 1.0 O O58 1 0.65692600 0.06821400 0.52999300 1.0 O O59 1 0.65028600 0.43934900 0.46993200 1.0 O O60 1 0.66459400 0.23276700 0.32015800 1.0 O O61 1 0.66170600 0.26809300 0.68103000 1.0 O O62 1 0.67334200 0.51300600 0.27299900 1.0 O O63 1 0.67313400 0.98736500 0.72590700 1.0 O O64 1 0.82669600 0.01306500 0.22634100 1.0 O O65 1 0.82351700 0.48508900 0.77537400 1.0 O O66 1 0.83681300 0.73243700 0.17972700 1.0 O O67 1 0.83739100 0.76771100 0.81941400 1.0 O O68 1 0.84312100 0.56532800 0.96811800 1.0 O O69 1 0.84282600 0.93317200 0.03053100 1.0 O O70 1 0.85303300 0.66325800 0.58195500 1.0 O O71 1 0.85069600 0.83684800 0.42116500 1.0 O O72 1 0.92745100 0.10406600 0.84485600 1.0 O O73 1 0.92740500 0.39607400 0.15550400 1.0 O O74 1 0.94078700 0.14491500 0.43016500 1.0 O O75 1 0.94863100 0.35747900 0.57768800 1.0