# generated using pymatgen data_LiCu4(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02545800 _cell_length_b 10.25601100 _cell_length_c 14.38277300 _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 888.81457507 _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 0.06279000 0.72696400 0.25000000 1.0 Li Li1 1 0.43721000 0.22696400 0.75000000 1.0 Li Li2 1 0.56279000 0.77303600 0.25000000 1.0 Li Li3 1 0.93721000 0.27303600 0.75000000 1.0 Cu Cu4 1 0.05301800 0.84879500 0.63351300 1.0 Cu Cu5 1 0.05301800 0.84879500 0.86648700 1.0 Cu Cu6 1 0.14588300 0.44111000 0.58584600 1.0 Cu Cu7 1 0.14588300 0.44111000 0.91415400 1.0 Cu Cu8 1 0.35411700 0.94111000 0.08584600 1.0 Cu Cu9 1 0.35411700 0.94111000 0.41415400 1.0 Cu Cu10 1 0.44698200 0.34879500 0.13351300 1.0 Cu Cu11 1 0.44698200 0.34879500 0.36648700 1.0 Cu Cu12 1 0.55301800 0.65120500 0.63351300 1.0 Cu Cu13 1 0.55301800 0.65120500 0.86648700 1.0 Cu Cu14 1 0.64588300 0.05889000 0.58584600 1.0 Cu Cu15 1 0.64588300 0.05889000 0.91415400 1.0 Cu Cu16 1 0.85411700 0.55889000 0.08584600 1.0 Cu Cu17 1 0.85411700 0.55889000 0.41415400 1.0 Cu Cu18 1 0.94698200 0.15120500 0.13351300 1.0 Cu Cu19 1 0.94698200 0.15120500 0.36648700 1.0 P P20 1 0.02010600 0.40047700 0.25000000 1.0 P P21 1 0.13463900 0.13375300 0.57274800 1.0 P P22 1 0.13463900 0.13375300 0.92725200 1.0 P P23 1 0.36536100 0.63375300 0.07274800 1.0 P P24 1 0.36536100 0.63375300 0.42725200 1.0 P P25 1 0.47989400 0.90047700 0.75000000 1.0 P P26 1 0.52010600 0.09952300 0.25000000 1.0 P P27 1 0.63463900 0.36624700 0.57274800 1.0 P P28 1 0.63463900 0.36624700 0.92725200 1.0 P P29 1 0.86536100 0.86624700 0.07274800 1.0 P P30 1 0.86536100 0.86624700 0.42725200 1.0 P P31 1 0.97989400 0.59952300 0.75000000 1.0 O O32 1 0.04184600 0.96781400 0.11298300 1.0 O O33 1 0.04184600 0.96781400 0.38701700 1.0 O O34 1 0.03826900 0.20309400 0.01246500 1.0 O O35 1 0.03826900 0.20309400 0.48753500 1.0 O O36 1 0.04438000 0.45525400 0.75000000 1.0 O O37 1 0.07418100 0.66262100 0.66026100 1.0 O O38 1 0.07418100 0.66262100 0.83973900 1.0 O O39 1 0.16195200 0.54518900 0.04836400 1.0 O O40 1 0.16195200 0.54518900 0.45163600 1.0 O O41 1 0.18647500 0.23743200 0.64675600 1.0 O O42 1 0.18647500 0.23743200 0.85324400 1.0 O O43 1 0.21518900 0.88672900 0.75000000 1.0 O O44 1 0.28481100 0.38672900 0.25000000 1.0 O O45 1 0.31352500 0.73743200 0.14675600 1.0 O O46 1 0.31352500 0.73743200 0.35324400 1.0 O O47 1 0.33804800 0.04518900 0.54836400 1.0 O O48 1 0.33804800 0.04518900 0.95163600 1.0 O O49 1 0.42581900 0.16262100 0.16026100 1.0 O O50 1 0.42581900 0.16262100 0.33973900 1.0 O O51 1 0.45562000 0.95525400 0.25000000 1.0 O O52 1 0.46173100 0.70309400 0.51246500 1.0 O O53 1 0.46173100 0.70309400 0.98753500 1.0 O O54 1 0.45815400 0.46781400 0.61298300 1.0 O O55 1 0.45815400 0.46781400 0.88701700 1.0 O O56 1 0.54184600 0.53218600 0.11298300 1.0 O O57 1 0.54184600 0.53218600 0.38701700 1.0 O O58 1 0.53826900 0.29690600 0.01246500 1.0 O O59 1 0.53826900 0.29690600 0.48753500 1.0 O O60 1 0.54438000 0.04474600 0.75000000 1.0 O O61 1 0.57418100 0.83737900 0.66026100 1.0 O O62 1 0.57418100 0.83737900 0.83973900 1.0 O O63 1 0.66195200 0.95481100 0.04836400 1.0 O O64 1 0.66195200 0.95481100 0.45163600 1.0 O O65 1 0.68647500 0.26256800 0.64675600 1.0 O O66 1 0.68647500 0.26256800 0.85324400 1.0 O O67 1 0.71518900 0.61327100 0.75000000 1.0 O O68 1 0.78481100 0.11327100 0.25000000 1.0 O O69 1 0.81352500 0.76256800 0.14675600 1.0 O O70 1 0.81352500 0.76256800 0.35324400 1.0 O O71 1 0.83804800 0.45481100 0.54836400 1.0 O O72 1 0.83804800 0.45481100 0.95163600 1.0 O O73 1 0.92581900 0.33737900 0.16026100 1.0 O O74 1 0.92581900 0.33737900 0.33973900 1.0 O O75 1 0.95562000 0.54474600 0.25000000 1.0 O O76 1 0.96173100 0.79690600 0.51246500 1.0 O O77 1 0.96173100 0.79690600 0.98753500 1.0 O O78 1 0.95815400 0.03218600 0.61298300 1.0 O O79 1 0.95815400 0.03218600 0.88701700 1.0