# generated using pymatgen data_Li2Fe2P4H3O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94432600 _cell_length_b 7.56725928 _cell_length_c 8.15759087 _cell_angle_alpha 90.44871715 _cell_angle_beta 91.14049270 _cell_angle_gamma 103.68890532 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Fe2P4H3O16 _chemical_formula_sum 'Li2 Fe2 P4 H3 O16' _cell_volume 296.46309788 _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 0.38870000 0.84680200 0.12881000 1.0 Li Li1 1 0.59873200 0.15323800 0.87381300 1.0 Fe Fe2 1 0.49800600 0.99895200 0.50174800 1.0 Fe Fe3 1 0.00227000 0.50036500 0.00007100 1.0 P P4 1 0.11052400 0.25165600 0.66382900 1.0 P P5 1 0.37274100 0.23615000 0.15585000 1.0 P P6 1 0.62488700 0.75723300 0.84140800 1.0 P P7 1 0.88479000 0.75051700 0.33656300 1.0 H H8 1 0.45251800 0.47966700 0.60487300 1.0 H H9 1 0.54998500 0.51474000 0.38128200 1.0 H H10 1 0.95669500 0.97879800 0.98576900 1.0 O O11 1 0.98898000 0.70043400 0.16851600 1.0 O O12 1 0.12989800 0.84330000 0.44520700 1.0 O O13 1 0.17912100 0.36806800 0.16738900 1.0 O O14 1 0.25330200 0.43726800 0.57768600 1.0 O O15 1 0.36885300 0.66894000 0.94364900 1.0 O O16 1 0.54687300 0.81578800 0.67221400 1.0 O O17 1 0.25204900 0.05892900 0.05618300 1.0 O O18 1 0.33236200 0.13892400 0.68388600 1.0 O O19 1 0.66319400 0.86321100 0.31613900 1.0 O O20 1 0.75317400 0.94098200 0.94347900 1.0 O O21 1 0.44955500 0.18691400 0.33088900 1.0 O O22 1 0.63403200 0.33533100 0.06014100 1.0 O O23 1 0.74024900 0.56496500 0.42349900 1.0 O O24 1 0.82537200 0.63219900 0.83175500 1.0 O O25 1 0.86485600 0.15836900 0.55551800 1.0 O O26 1 0.00444400 0.30024700 0.83180700 1.0