# generated using pymatgen data_Fe2P3(HO3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.15984606 _cell_length_b 8.15984606 _cell_length_c 7.48913500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000051 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2P3(HO3)3 _chemical_formula_sum 'Fe4 P6 H6 O18' _cell_volume 431.84333420 _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 Fe Fe0 1 0.33333300 0.66666700 0.95079200 1.0 Fe Fe1 1 0.66666700 0.33333300 0.45079200 1.0 Fe Fe2 1 0.66666700 0.33333300 0.04920800 1.0 Fe Fe3 1 0.33333300 0.66666700 0.54920800 1.0 P P4 1 0.35721600 0.04707600 0.75000000 1.0 P P5 1 0.31014000 0.35721600 0.25000000 1.0 P P6 1 0.04707600 0.68986000 0.25000000 1.0 P P7 1 0.95292400 0.31014000 0.75000000 1.0 P P8 1 0.68986000 0.64278400 0.75000000 1.0 P P9 1 0.64278400 0.95292400 0.25000000 1.0 H H10 1 0.81838400 0.83848700 0.75000000 1.0 H H11 1 0.97989700 0.81838400 0.25000000 1.0 H H12 1 0.83848700 0.02010300 0.25000000 1.0 H H13 1 0.16151300 0.97989700 0.75000000 1.0 H H14 1 0.02010300 0.18161600 0.75000000 1.0 H H15 1 0.18161600 0.16151300 0.25000000 1.0 O O16 1 0.56537400 0.83788300 0.42163600 1.0 O O17 1 0.72749200 0.56537400 0.92163600 1.0 O O18 1 0.83788300 0.27250800 0.92163600 1.0 O O19 1 0.16211700 0.72749200 0.42163600 1.0 O O20 1 0.51273400 0.38273700 0.25000000 1.0 O O21 1 0.12999700 0.51273400 0.75000000 1.0 O O22 1 0.38273700 0.87000300 0.75000000 1.0 O O23 1 0.61726300 0.12999700 0.25000000 1.0 O O24 1 0.87000300 0.48726600 0.25000000 1.0 O O25 1 0.48726600 0.61726300 0.75000000 1.0 O O26 1 0.56537400 0.83788300 0.07836400 1.0 O O27 1 0.72749200 0.56537400 0.57836400 1.0 O O28 1 0.83788300 0.27250800 0.57836400 1.0 O O29 1 0.16211700 0.72749200 0.07836400 1.0 O O30 1 0.27250800 0.43462600 0.07836400 1.0 O O31 1 0.43462600 0.16211700 0.57836400 1.0 O O32 1 0.43462600 0.16211700 0.92163600 1.0 O O33 1 0.27250800 0.43462600 0.42163600 1.0