# generated using pymatgen data_LiCu4(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40294500 _cell_length_b 8.93328800 _cell_length_c 14.89811217 _cell_angle_alpha 89.89261250 _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 852.16086126 _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 0.16058100 0.48360600 1.0 Li Li1 1 0.50000000 0.33896000 0.32061000 1.0 Li Li2 1 0.50000000 0.33338000 0.98711700 1.0 Li Li3 1 0.00000000 0.64339500 0.01604800 1.0 Cu Cu4 1 0.75092500 0.01797500 0.66391400 1.0 Cu Cu5 1 0.24204300 0.00816700 0.00220200 1.0 Cu Cu6 1 0.24382200 0.00332600 0.33133800 1.0 Cu Cu7 1 0.24907500 0.01797500 0.66391400 1.0 Cu Cu8 1 0.75795700 0.00816700 0.00220200 1.0 Cu Cu9 1 0.75617800 0.00332600 0.33133800 1.0 Cu Cu10 1 0.24355200 0.49131100 0.16433000 1.0 Cu Cu11 1 0.24473500 0.48103100 0.82955400 1.0 Cu Cu12 1 0.75644800 0.49131100 0.16433000 1.0 Cu Cu13 1 0.75526500 0.48103100 0.82955400 1.0 Cu Cu14 1 0.24492100 0.49015000 0.49321600 1.0 Cu Cu15 1 0.75507900 0.49015000 0.49321600 1.0 Cu Cu16 1 0.00000000 0.64061000 0.68181200 1.0 Cu Cu17 1 0.50000000 0.86287800 0.85413100 1.0 Cu Cu18 1 0.50000000 0.85094000 0.18544800 1.0 Cu Cu19 1 0.50000000 0.85938300 0.51717200 1.0 P P20 1 0.50000000 0.18001100 0.15250800 1.0 P P21 1 0.50000000 0.17764000 0.48556500 1.0 P P22 1 0.50000000 0.17949400 0.81641000 1.0 P P23 1 0.00000000 0.31915700 0.31814900 1.0 P P24 1 0.00000000 0.32680700 0.64782000 1.0 P P25 1 0.00000000 0.31707000 0.98711600 1.0 P P26 1 0.50000000 0.68350400 0.35384000 1.0 P P27 1 0.50000000 0.68462200 0.68229500 1.0 P P28 1 0.50000000 0.68526700 0.01744200 1.0 P P29 1 0.00000000 0.81278400 0.17515900 1.0 P P30 1 0.00000000 0.81204500 0.84696000 1.0 P P31 1 0.00000000 0.81884900 0.51047500 1.0 O O32 1 0.29989500 0.12192900 0.10825900 1.0 O O33 1 0.29881300 0.12056900 0.77316000 1.0 O O34 1 0.29837600 0.11772300 0.44076100 1.0 O O35 1 0.70118700 0.12056900 0.77316000 1.0 O O36 1 0.70162400 0.11772300 0.44076100 1.0 O O37 1 0.70010500 0.12192900 0.10825900 1.0 O O38 1 0.50000000 0.13994100 0.25386500 1.0 O O39 1 0.50000000 0.12603500 0.58414300 1.0 O O40 1 0.50000000 0.13076700 0.91728300 1.0 O O41 1 0.00000000 0.14189700 0.97416000 1.0 O O42 1 0.00000000 0.14202500 0.30660800 1.0 O O43 1 0.00000000 0.14919400 0.63275800 1.0 O O44 1 0.50000000 0.35828500 0.13676000 1.0 O O45 1 0.50000000 0.35222600 0.46591600 1.0 O O46 1 0.50000000 0.35664800 0.80940400 1.0 O O47 1 0.00000000 0.37196000 0.08452600 1.0 O O48 1 0.00000000 0.35592000 0.41964300 1.0 O O49 1 0.00000000 0.37770200 0.74651400 1.0 O O50 1 0.20208300 0.37930900 0.27482600 1.0 O O51 1 0.20035400 0.38246900 0.60183800 1.0 O O52 1 0.20196000 0.37648300 0.94172000 1.0 O O53 1 0.79964600 0.38246900 0.60183800 1.0 O O54 1 0.79804000 0.37648300 0.94172000 1.0 O O55 1 0.79791700 0.37930900 0.27482600 1.0 O O56 1 0.30169200 0.61602900 0.05773400 1.0 O O57 1 0.30068700 0.61938200 0.39451700 1.0 O O58 1 0.69830800 0.61602900 0.05773400 1.0 O O59 1 0.69931300 0.61938200 0.39451700 1.0 O O60 1 0.30146900 0.61376500 0.72428900 1.0 O O61 1 0.69853100 0.61376500 0.72428900 1.0 O O62 1 0.50000000 0.65972000 0.24995200 1.0 O O63 1 0.50000000 0.66522600 0.91409300 1.0 O O64 1 0.50000000 0.66344300 0.57971100 1.0 O O65 1 0.00000000 0.63843200 0.19000700 1.0 O O66 1 0.00000000 0.63932600 0.86957000 1.0 O O67 1 0.00000000 0.64523900 0.53426400 1.0 O O68 1 0.50000000 0.85751700 0.70699800 1.0 O O69 1 0.50000000 0.86142600 0.03936400 1.0 O O70 1 0.50000000 0.86206700 0.37114800 1.0 O O71 1 0.00000000 0.86244800 0.41243300 1.0 O O72 1 0.00000000 0.85040900 0.07447100 1.0 O O73 1 0.00000000 0.83684500 0.74403300 1.0 O O74 1 0.80138200 0.87915300 0.22158200 1.0 O O75 1 0.80311800 0.88387900 0.89027400 1.0 O O76 1 0.19861800 0.87915300 0.22158200 1.0 O O77 1 0.19688200 0.88387900 0.89027400 1.0 O O78 1 0.80223300 0.88467300 0.55928600 1.0 O O79 1 0.19776700 0.88467300 0.55928600 1.0