# generated using pymatgen data_H7O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28750296 _cell_length_b 6.28750296 _cell_length_c 6.28750296 _cell_angle_alpha 126.59774645 _cell_angle_beta 114.96152833 _cell_angle_gamma 88.95699203 _symmetry_Int_Tables_number 1 _chemical_formula_structural H7O4 _chemical_formula_sum 'H14 O8' _cell_volume 171.36173128 _cell_formula_units_Z 2 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 H H0 1 0.00000000 0.00000000 0.50000000 1.0 H H1 1 0.50000000 0.00000000 0.00000000 1.0 H H2 1 0.50000000 0.50000000 0.50000000 1.0 H H3 1 0.00000000 0.50000000 0.00000000 1.0 H H4 1 0.12373700 0.87373700 0.25000000 1.0 H H5 1 0.37626300 0.12626300 0.25000000 1.0 H H6 1 0.87626300 0.12626300 0.75000000 1.0 H H7 1 0.62373700 0.87373700 0.75000000 1.0 H H8 1 0.25000000 0.24350600 0.49350600 1.0 H H9 1 0.25000000 0.75649400 0.00649400 1.0 H H10 1 0.75000000 0.75649400 0.50649400 1.0 H H11 1 0.75000000 0.24350600 0.99350600 1.0 H H12 1 0.00000000 0.50000000 0.50000000 1.0 H H13 1 0.50000000 0.50000000 0.00000000 1.0 O O14 1 0.07002200 0.07868200 0.40056500 1.0 O O15 1 0.32188200 0.92131800 0.99133900 1.0 O O16 1 0.42997800 0.33054300 0.50866100 1.0 O O17 1 0.17811800 0.66945700 0.09943500 1.0 O O18 1 0.92997800 0.92131800 0.59943500 1.0 O O19 1 0.67811800 0.07868200 0.00866100 1.0 O O20 1 0.57002200 0.66945700 0.49133900 1.0 O O21 1 0.82188200 0.33054300 0.90056500 1.0