# generated using pymatgen data_Li3CoPO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96605300 _cell_length_b 5.43448000 _cell_length_c 15.78318500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3CoPO5 _chemical_formula_sum 'Li12 Co4 P4 O20' _cell_volume 425.95526637 _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 0.00687400 0.66220500 0.59598200 1.0 Li Li1 1 0.00687400 0.16220500 0.90401800 1.0 Li Li2 1 0.00670900 0.66884200 0.00259800 1.0 Li Li3 1 0.00670900 0.16884200 0.49740200 1.0 Li Li4 1 0.49145900 0.33226500 0.80224300 1.0 Li Li5 1 0.49145900 0.83226500 0.69775700 1.0 Li Li6 1 0.50687400 0.33779500 0.40401800 1.0 Li Li7 1 0.50687400 0.83779500 0.09598200 1.0 Li Li8 1 0.50670900 0.33115800 0.99740200 1.0 Li Li9 1 0.50670900 0.83115800 0.50259800 1.0 Li Li10 1 0.99145900 0.16773500 0.30224300 1.0 Li Li11 1 0.99145900 0.66773500 0.19775700 1.0 Co Co12 1 0.00570900 0.17418000 0.70342300 1.0 Co Co13 1 0.00570900 0.67418000 0.79657700 1.0 Co Co14 1 0.50570900 0.32582000 0.20342300 1.0 Co Co15 1 0.50570900 0.82582000 0.29657700 1.0 P P16 1 0.00028900 0.16643600 0.09828000 1.0 P P17 1 0.00028900 0.66643600 0.40172000 1.0 P P18 1 0.50028900 0.33356400 0.59828000 1.0 P P19 1 0.50028900 0.83356400 0.90172000 1.0 O O20 1 0.10334000 0.33491800 0.80571600 1.0 O O21 1 0.10334000 0.83491800 0.69428400 1.0 O O22 1 0.10773900 0.31018200 0.01993900 1.0 O O23 1 0.10773900 0.81018200 0.48006100 1.0 O O24 1 0.10141900 0.39624900 0.40166900 1.0 O O25 1 0.10141900 0.89624900 0.09833100 1.0 O O26 1 0.09534400 0.29792900 0.18170300 1.0 O O27 1 0.09534400 0.79792900 0.31829700 1.0 O O28 1 0.18491900 0.32794200 0.59617000 1.0 O O29 1 0.18491900 0.82794200 0.90383000 1.0 O O30 1 0.60334000 0.66508200 0.19428400 1.0 O O31 1 0.60334000 0.16508200 0.30571600 1.0 O O32 1 0.60773900 0.18981800 0.51993900 1.0 O O33 1 0.60773900 0.68981800 0.98006100 1.0 O O34 1 0.60141900 0.10375100 0.90166900 1.0 O O35 1 0.60141900 0.60375100 0.59833100 1.0 O O36 1 0.59534400 0.20207100 0.68170300 1.0 O O37 1 0.59534400 0.70207100 0.81829700 1.0 O O38 1 0.68491900 0.17205800 0.09617000 1.0 O O39 1 0.68491900 0.67205800 0.40383000 1.0