# generated using pymatgen data_LiMo2PO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36580800 _cell_length_b 6.78948700 _cell_length_c 17.91956623 _cell_angle_alpha 89.08115643 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMo2PO8 _chemical_formula_sum 'Li4 Mo8 P4 O32' _cell_volume 652.74527089 _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 0.78891200 0.74122600 0.78218200 1.0 Li Li1 1 0.28891200 0.25877400 0.21781800 1.0 Li Li2 1 0.78770600 0.75365000 0.29186600 1.0 Li Li3 1 0.28770600 0.24635000 0.70813400 1.0 Mo Mo4 1 0.72870400 0.84201700 0.45283500 1.0 Mo Mo5 1 0.22984200 0.33979700 0.04812600 1.0 Mo Mo6 1 0.22870400 0.15798300 0.54716500 1.0 Mo Mo7 1 0.73742900 0.99386300 0.12225300 1.0 Mo Mo8 1 0.72984200 0.66020300 0.95187400 1.0 Mo Mo9 1 0.23742900 0.00613700 0.87774700 1.0 Mo Mo10 1 0.22472500 0.49848200 0.37453000 1.0 Mo Mo11 1 0.72472500 0.50151800 0.62547000 1.0 P P12 1 0.21885400 0.69701600 0.18998800 1.0 P P13 1 0.72706100 0.19587400 0.30559300 1.0 P P14 1 0.71885400 0.30298400 0.81001200 1.0 P P15 1 0.22706100 0.80412600 0.69440700 1.0 O O16 1 0.46148300 0.52848600 0.99126600 1.0 O O17 1 0.45832700 0.32776600 0.60704900 1.0 O O18 1 0.74495700 0.00190500 0.35226500 1.0 O O19 1 0.68426400 0.13390900 0.22420900 1.0 O O20 1 0.40507200 0.84520800 0.15988200 1.0 O O21 1 0.74079800 0.83755600 0.04230200 1.0 O O22 1 0.71817900 0.66083800 0.54453500 1.0 O O23 1 0.01897800 0.79645700 0.91591500 1.0 O O24 1 0.24079800 0.16244400 0.95769800 1.0 O O25 1 0.96148300 0.47151400 0.00873400 1.0 O O26 1 0.44725400 0.21837400 0.81003800 1.0 O O27 1 0.21817900 0.33916200 0.45546500 1.0 O O28 1 0.94725400 0.78162600 0.18996200 1.0 O O29 1 0.28016500 0.64629300 0.27281900 1.0 O O30 1 0.23074400 0.49616800 0.14889300 1.0 O O31 1 0.46960000 0.68279400 0.68907000 1.0 O O32 1 0.95832700 0.67223400 0.39295100 1.0 O O33 1 0.02907100 0.14620000 0.10920400 1.0 O O34 1 0.73074400 0.50383200 0.85110700 1.0 O O35 1 0.24495700 0.99809500 0.64773500 1.0 O O36 1 0.52907100 0.85380000 0.89079600 1.0 O O37 1 0.99006400 0.68944200 0.67522000 1.0 O O38 1 0.96960000 0.31720600 0.31093000 1.0 O O39 1 0.46911100 0.68530300 0.41165400 1.0 O O40 1 0.96911100 0.31469700 0.58834600 1.0 O O41 1 0.51897800 0.20354300 0.08408500 1.0 O O42 1 0.90507200 0.15479200 0.84011800 1.0 O O43 1 0.78016500 0.35370700 0.72718100 1.0 O O44 1 0.47389900 0.01275000 0.50304300 1.0 O O45 1 0.97389900 0.98725000 0.49695700 1.0 O O46 1 0.49006400 0.31055800 0.32478000 1.0 O O47 1 0.18426400 0.86609100 0.77579100 1.0