# generated using pymatgen data_LiCu4(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20955200 _cell_length_b 9.64043600 _cell_length_c 15.96557300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCu4(PO4)3 _chemical_formula_sum 'Li4 Cu16 P12 O48' _cell_volume 955.74372209 _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 Li Li0 1 0.00000000 0.27720100 0.46968800 1.0 Li Li1 1 0.00000000 0.72279900 0.53031200 1.0 Li Li2 1 0.50000000 0.77720100 0.03031200 1.0 Li Li3 1 0.50000000 0.22279900 0.96968800 1.0 Cu Cu4 1 0.00000000 0.53997200 0.09554300 1.0 Cu Cu5 1 0.00000000 0.97235600 0.15113200 1.0 Cu Cu6 1 0.00000000 0.02764400 0.84886800 1.0 Cu Cu7 1 0.00000000 0.46002800 0.90445700 1.0 Cu Cu8 1 0.75093300 0.74908100 0.30389800 1.0 Cu Cu9 1 0.75093300 0.25091900 0.69610200 1.0 Cu Cu10 1 0.74906700 0.24908100 0.19610200 1.0 Cu Cu11 1 0.74906700 0.75091900 0.80389800 1.0 Cu Cu12 1 0.50000000 0.96002800 0.59554300 1.0 Cu Cu13 1 0.50000000 0.03997200 0.40445700 1.0 Cu Cu14 1 0.50000000 0.52764400 0.65113200 1.0 Cu Cu15 1 0.50000000 0.47235600 0.34886800 1.0 Cu Cu16 1 0.25093300 0.75091900 0.80389800 1.0 Cu Cu17 1 0.25093300 0.24908100 0.19610200 1.0 Cu Cu18 1 0.24906700 0.74908100 0.30389800 1.0 Cu Cu19 1 0.24906700 0.25091900 0.69610200 1.0 P P20 1 0.00000000 0.20932400 0.02872700 1.0 P P21 1 0.00000000 0.04557100 0.33990100 1.0 P P22 1 0.00000000 0.45982100 0.28429500 1.0 P P23 1 0.00000000 0.54017900 0.71570500 1.0 P P24 1 0.00000000 0.95442900 0.66009900 1.0 P P25 1 0.00000000 0.79067600 0.97127300 1.0 P P26 1 0.50000000 0.95982100 0.21570500 1.0 P P27 1 0.50000000 0.29067600 0.52872700 1.0 P P28 1 0.50000000 0.54557100 0.16009900 1.0 P P29 1 0.50000000 0.70932400 0.47127300 1.0 P P30 1 0.50000000 0.04017900 0.78429500 1.0 P P31 1 0.50000000 0.45442900 0.83990100 1.0 O O32 1 0.00000000 0.36918200 0.01366800 1.0 O O33 1 0.00000000 0.10878600 0.24553200 1.0 O O34 1 0.00000000 0.39431200 0.19078200 1.0 O O35 1 0.00000000 0.86206600 0.05502700 1.0 O O36 1 0.00000000 0.62066700 0.27455400 1.0 O O37 1 0.00000000 0.11530700 0.67057900 1.0 O O38 1 0.00000000 0.88469300 0.32942100 1.0 O O39 1 0.00000000 0.37933300 0.72544600 1.0 O O40 1 0.00000000 0.13793400 0.94497300 1.0 O O41 1 0.00000000 0.60568800 0.80921800 1.0 O O42 1 0.00000000 0.89121400 0.75446800 1.0 O O43 1 0.00000000 0.63081800 0.98633200 1.0 O O44 1 0.79260100 0.17028300 0.07860900 1.0 O O45 1 0.79260100 0.82971700 0.92139100 1.0 O O46 1 0.80146500 0.09899200 0.38641100 1.0 O O47 1 0.80146500 0.90100800 0.61358900 1.0 O O48 1 0.79737000 0.40130100 0.32544700 1.0 O O49 1 0.79737000 0.59869900 0.67455300 1.0 O O50 1 0.70263000 0.90130100 0.17455300 1.0 O O51 1 0.70263000 0.09869900 0.82544700 1.0 O O52 1 0.69853500 0.40100800 0.88641100 1.0 O O53 1 0.69853500 0.59899200 0.11358900 1.0 O O54 1 0.70739900 0.32971700 0.57860900 1.0 O O55 1 0.70739900 0.67028300 0.42139100 1.0 O O56 1 0.50000000 0.38469300 0.17057900 1.0 O O57 1 0.50000000 0.36206600 0.44497300 1.0 O O58 1 0.50000000 0.13081800 0.51366800 1.0 O O59 1 0.50000000 0.12066700 0.22544600 1.0 O O60 1 0.50000000 0.63793400 0.55502700 1.0 O O61 1 0.50000000 0.86918200 0.48633200 1.0 O O62 1 0.50000000 0.10568800 0.69078200 1.0 O O63 1 0.50000000 0.60878600 0.25446800 1.0 O O64 1 0.50000000 0.89431200 0.30921800 1.0 O O65 1 0.50000000 0.87933300 0.77455400 1.0 O O66 1 0.50000000 0.61530700 0.82942100 1.0 O O67 1 0.50000000 0.39121400 0.74553200 1.0 O O68 1 0.29260100 0.67028300 0.42139100 1.0 O O69 1 0.29260100 0.32971700 0.57860900 1.0 O O70 1 0.30146500 0.59899200 0.11358900 1.0 O O71 1 0.30146500 0.40100800 0.88641100 1.0 O O72 1 0.29737000 0.90130100 0.17455300 1.0 O O73 1 0.29737000 0.09869900 0.82544700 1.0 O O74 1 0.20263000 0.40130100 0.32544700 1.0 O O75 1 0.20263000 0.59869900 0.67455300 1.0 O O76 1 0.19853500 0.09899200 0.38641100 1.0 O O77 1 0.19853500 0.90100800 0.61358900 1.0 O O78 1 0.20739900 0.17028300 0.07860900 1.0 O O79 1 0.20739900 0.82971700 0.92139100 1.0