# generated using pymatgen data_LiCu(PO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.23825600 _cell_length_b 9.35659400 _cell_length_c 10.19891000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCu(PO3)4 _chemical_formula_sum 'Li4 Cu4 P16 O48' _cell_volume 881.57961065 _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 0.85332500 0.75451000 0.83126800 1.0 Li Li1 1 0.35332500 0.74549000 0.16873200 1.0 Li Li2 1 0.64667500 0.24549000 0.33126800 1.0 Li Li3 1 0.14667500 0.25451000 0.66873200 1.0 Cu Cu4 1 0.50691800 0.24304600 0.70421900 1.0 Cu Cu5 1 0.49308200 0.74304600 0.79578100 1.0 Cu Cu6 1 0.00691800 0.25695400 0.29578100 1.0 Cu Cu7 1 0.99308200 0.75695400 0.20421900 1.0 P P8 1 0.70688500 0.95850600 0.60841400 1.0 P P9 1 0.20941600 0.03948300 0.10966500 1.0 P P10 1 0.79058400 0.53948300 0.39033500 1.0 P P11 1 0.49910800 0.02356400 0.97278800 1.0 P P12 1 0.49844400 0.44339700 0.10947600 1.0 P P13 1 0.50089200 0.52356400 0.52721200 1.0 P P14 1 0.79311500 0.04149400 0.10841400 1.0 P P15 1 0.20688500 0.54149400 0.39158600 1.0 P P16 1 0.00155600 0.55660300 0.60947600 1.0 P P17 1 0.29311500 0.45850600 0.89158600 1.0 P P18 1 0.99910800 0.47643600 0.02721200 1.0 P P19 1 0.99844400 0.05660300 0.89052400 1.0 P P20 1 0.70941600 0.46051700 0.89033500 1.0 P P21 1 0.50155600 0.94339700 0.39052400 1.0 P P22 1 0.29058400 0.96051700 0.60966500 1.0 P P23 1 0.00089200 0.97643600 0.47278700 1.0 O O24 1 0.98876900 0.89858400 0.87521500 1.0 O O25 1 0.12786200 0.43495800 0.93011100 1.0 O O26 1 0.00376100 0.13726800 0.45419500 1.0 O O27 1 0.81741200 0.13643900 0.22738600 1.0 O O28 1 0.68258800 0.86356100 0.72738600 1.0 O O29 1 0.36549400 0.89857600 0.48120300 1.0 O O30 1 0.17160400 0.13125200 0.22616000 1.0 O O31 1 0.63450600 0.39857600 0.01879700 1.0 O O32 1 0.99944000 0.38378000 0.14544500 1.0 O O33 1 0.31741200 0.36356100 0.77261400 1.0 O O34 1 0.13247400 0.61444600 0.51711300 1.0 O O35 1 0.50376100 0.36273200 0.54580500 1.0 O O36 1 0.18791900 0.87972900 0.12333900 1.0 O O37 1 0.17141500 0.38468900 0.38243100 1.0 O O38 1 0.87388400 0.42908600 0.92798000 1.0 O O39 1 0.31208100 0.12027100 0.62333900 1.0 O O40 1 0.63247400 0.88555400 0.48288700 1.0 O O41 1 0.62786200 0.06504200 0.06988900 1.0 O O42 1 0.50728800 0.35213900 0.22836300 1.0 O O43 1 0.18258800 0.63643900 0.27261400 1.0 O O44 1 0.32858500 0.61531100 0.88243100 1.0 O O45 1 0.86549400 0.60142400 0.51879700 1.0 O O46 1 0.82839600 0.63125200 0.27384000 1.0 O O47 1 0.37388400 0.07091400 0.07202000 1.0 O O48 1 0.67141500 0.11531100 0.61756900 1.0 O O49 1 0.49271200 0.85213900 0.27163700 1.0 O O50 1 0.12611600 0.92908600 0.57202000 1.0 O O51 1 0.32839600 0.86874800 0.72616000 1.0 O O52 1 0.01123100 0.39858400 0.62478500 1.0 O O53 1 0.00728800 0.14786100 0.77163700 1.0 O O54 1 0.50056000 0.61622000 0.64544500 1.0 O O55 1 0.49623900 0.86273200 0.95419500 1.0 O O56 1 0.36752600 0.38555400 0.01711300 1.0 O O57 1 0.49944000 0.11622000 0.85455500 1.0 O O58 1 0.62611600 0.57091400 0.42798000 1.0 O O59 1 0.37213800 0.56504200 0.43011100 1.0 O O60 1 0.68791900 0.62027100 0.87666100 1.0 O O61 1 0.00056000 0.88378000 0.35455500 1.0 O O62 1 0.87213800 0.93495800 0.56988900 1.0 O O63 1 0.13450600 0.10142400 0.98120300 1.0 O O64 1 0.99623900 0.63726800 0.04580500 1.0 O O65 1 0.48876900 0.60141600 0.12478500 1.0 O O66 1 0.82858500 0.88468900 0.11756900 1.0 O O67 1 0.67160400 0.36874800 0.77384000 1.0 O O68 1 0.81208100 0.37972900 0.37666100 1.0 O O69 1 0.99271200 0.64786100 0.72836300 1.0 O O70 1 0.51123100 0.10141600 0.37521500 1.0 O O71 1 0.86752600 0.11444600 0.98288700 1.0