# generated using pymatgen data_Li4(MoO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21483500 _cell_length_b 10.53361500 _cell_length_c 17.98078100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4(MoO4)3 _chemical_formula_sum 'Li16 Mo12 O48' _cell_volume 987.70343509 _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 0.10100200 0.25000000 0.24936000 1.0 Li Li1 1 0.89899800 0.75000000 0.75064000 1.0 Li Li2 1 0.39899800 0.75000000 0.74936000 1.0 Li Li3 1 0.60100200 0.25000000 0.25064000 1.0 Li Li4 1 0.24723600 0.07569600 0.52663500 1.0 Li Li5 1 0.75276400 0.92430400 0.47336500 1.0 Li Li6 1 0.25276400 0.92430400 0.02663500 1.0 Li Li7 1 0.75276400 0.57569600 0.47336500 1.0 Li Li8 1 0.74723600 0.07569600 0.97336500 1.0 Li Li9 1 0.24723600 0.42430400 0.52663500 1.0 Li Li10 1 0.74723600 0.42430400 0.97336500 1.0 Li Li11 1 0.25276400 0.57569600 0.02663500 1.0 Li Li12 1 0.25779200 0.25000000 0.70042300 1.0 Li Li13 1 0.74220800 0.75000000 0.29957700 1.0 Li Li14 1 0.24220800 0.75000000 0.20042300 1.0 Li Li15 1 0.75779200 0.25000000 0.79957700 1.0 Mo Mo16 1 0.28159100 0.25000000 0.05596300 1.0 Mo Mo17 1 0.71840900 0.75000000 0.94403700 1.0 Mo Mo18 1 0.21840900 0.75000000 0.55596300 1.0 Mo Mo19 1 0.78159100 0.25000000 0.44403700 1.0 Mo Mo20 1 0.27528800 0.52765900 0.34434700 1.0 Mo Mo21 1 0.72471200 0.47234100 0.65565300 1.0 Mo Mo22 1 0.22471200 0.47234100 0.84434700 1.0 Mo Mo23 1 0.72471200 0.02765900 0.65565300 1.0 Mo Mo24 1 0.77528800 0.52765900 0.15565300 1.0 Mo Mo25 1 0.27528800 0.97234100 0.34434700 1.0 Mo Mo26 1 0.77528800 0.97234100 0.15565300 1.0 Mo Mo27 1 0.22471200 0.02765900 0.84434700 1.0 O O28 1 0.08384400 0.00978600 0.42439100 1.0 O O29 1 0.91615600 0.99021400 0.57560900 1.0 O O30 1 0.41615600 0.99021400 0.92439100 1.0 O O31 1 0.91615600 0.50978600 0.57560900 1.0 O O32 1 0.58384400 0.00978600 0.07560900 1.0 O O33 1 0.08384400 0.49021400 0.42439100 1.0 O O34 1 0.58384400 0.49021400 0.07560900 1.0 O O35 1 0.41615600 0.50978600 0.92439100 1.0 O O36 1 0.07757600 0.62916300 0.28581000 1.0 O O37 1 0.92242400 0.37083700 0.71419000 1.0 O O38 1 0.42242400 0.37083700 0.78581000 1.0 O O39 1 0.92242400 0.12916300 0.71419000 1.0 O O40 1 0.57757600 0.62916300 0.21419000 1.0 O O41 1 0.07757600 0.87083700 0.28581000 1.0 O O42 1 0.57757600 0.87083700 0.21419000 1.0 O O43 1 0.42242400 0.12916300 0.78581000 1.0 O O44 1 0.35225200 0.11491500 0.29486600 1.0 O O45 1 0.64774800 0.88508500 0.70513400 1.0 O O46 1 0.14774800 0.88508500 0.79486600 1.0 O O47 1 0.64774800 0.61491500 0.70513400 1.0 O O48 1 0.85225200 0.11491500 0.20513400 1.0 O O49 1 0.35225200 0.38508500 0.29486600 1.0 O O50 1 0.85225200 0.38508500 0.20513400 1.0 O O51 1 0.14774800 0.61491500 0.79486600 1.0 O O52 1 0.08377100 0.11396200 0.03613400 1.0 O O53 1 0.91622900 0.88603800 0.96386600 1.0 O O54 1 0.41622900 0.88603800 0.53613400 1.0 O O55 1 0.91622900 0.61396200 0.96386600 1.0 O O56 1 0.58377100 0.11396200 0.46386600 1.0 O O57 1 0.08377100 0.38603800 0.03613400 1.0 O O58 1 0.58377100 0.38603800 0.46386600 1.0 O O59 1 0.41622900 0.61396200 0.53613400 1.0 O O60 1 0.05539100 0.25000000 0.50476600 1.0 O O61 1 0.94460900 0.75000000 0.49523400 1.0 O O62 1 0.44460900 0.75000000 0.00476600 1.0 O O63 1 0.55539100 0.25000000 0.99523400 1.0 O O64 1 0.05818000 0.61435000 0.12736400 1.0 O O65 1 0.94182000 0.38565000 0.87263600 1.0 O O66 1 0.44182000 0.38565000 0.62736400 1.0 O O67 1 0.94182000 0.11435000 0.87263600 1.0 O O68 1 0.55818000 0.61435000 0.37263600 1.0 O O69 1 0.05818000 0.88565000 0.12736400 1.0 O O70 1 0.55818000 0.88565000 0.37263600 1.0 O O71 1 0.44182000 0.11435000 0.62736400 1.0 O O72 1 0.35762700 0.25000000 0.15468500 1.0 O O73 1 0.64237300 0.75000000 0.84531500 1.0 O O74 1 0.14237300 0.75000000 0.65468500 1.0 O O75 1 0.85762700 0.25000000 0.34531500 1.0