# generated using pymatgen data_Li4Cu7(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.86989623 _cell_length_b 8.86989623 _cell_length_c 6.30400770 _cell_angle_alpha 81.31376216 _cell_angle_beta 81.31376216 _cell_angle_gamma 105.86771228 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4Cu7(PO4)6 _chemical_formula_sum 'Li4 Cu7 P6 O24' _cell_volume 461.85122177 _cell_formula_units_Z 1 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 0.98847100 0.98847100 0.49678100 1.0 Li Li1 1 0.63430100 0.63430100 0.58790700 1.0 Li Li2 1 0.31878000 0.53781000 0.49489100 1.0 Li Li3 1 0.53781000 0.31878000 0.49489100 1.0 Cu Cu4 1 0.35542500 0.99532900 0.18573700 1.0 Cu Cu5 1 0.99532900 0.35542500 0.18573700 1.0 Cu Cu6 1 0.99603100 0.99603100 0.00073400 1.0 Cu Cu7 1 0.65279500 0.34178500 0.00181500 1.0 Cu Cu8 1 0.34178500 0.65279500 0.00181500 1.0 Cu Cu9 1 0.63955100 0.99816800 0.82044200 1.0 Cu Cu10 1 0.99816800 0.63955100 0.82044200 1.0 P P11 1 0.28897300 0.90548600 0.70128000 1.0 P P12 1 0.90548600 0.28897300 0.70128000 1.0 P P13 1 0.67496600 0.67496600 0.08353500 1.0 P P14 1 0.31639200 0.31639200 0.92448600 1.0 P P15 1 0.70638100 0.08160800 0.30331700 1.0 P P16 1 0.08160800 0.70638100 0.30331700 1.0 O O17 1 0.64983200 0.96055900 0.52263200 1.0 O O18 1 0.96055900 0.64983200 0.52263200 1.0 O O19 1 0.97230400 0.38627000 0.87270100 1.0 O O20 1 0.38627000 0.97230400 0.87270100 1.0 O O21 1 0.80778600 0.80778600 0.13388200 1.0 O O22 1 0.57499100 0.74675500 0.93055800 1.0 O O23 1 0.74675500 0.57499100 0.93055800 1.0 O O24 1 0.88304300 0.10236100 0.76201900 1.0 O O25 1 0.10236100 0.88304300 0.76201900 1.0 O O26 1 0.30042900 0.73215400 0.70632200 1.0 O O27 1 0.73215400 0.30042900 0.70632200 1.0 O O28 1 0.56781900 0.56781900 0.29807300 1.0 O O29 1 0.42303400 0.42303400 0.70707500 1.0 O O30 1 0.68856000 0.25187500 0.30261600 1.0 O O31 1 0.25187500 0.68856000 0.30261600 1.0 O O32 1 0.89375500 0.11140200 0.23656700 1.0 O O33 1 0.11140200 0.89375500 0.23656700 1.0 O O34 1 0.18317900 0.18317900 0.87814700 1.0 O O35 1 0.60761000 0.01452500 0.13448100 1.0 O O36 1 0.01452500 0.60761000 0.13448100 1.0 O O37 1 0.24511400 0.42157100 0.06589600 1.0 O O38 1 0.42157100 0.24511400 0.06589600 1.0 O O39 1 0.35668000 0.02721200 0.48381800 1.0 O O40 1 0.02721200 0.35668000 0.48381800 1.0