# generated using pymatgen data_Sr3Fe2(HO)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.59460225 _cell_length_b 12.59460225 _cell_length_c 12.59460225 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3Fe2(HO)12 _chemical_formula_sum 'Sr12 Fe8 H48 O48' _cell_volume 1537.91197701 _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 Sr Sr0 1 0.12500000 0.37500000 0.75000000 1.0 Sr Sr1 1 0.37500000 0.12500000 0.25000000 1.0 Sr Sr2 1 0.37500000 0.75000000 0.12500000 1.0 Sr Sr3 1 0.12500000 0.25000000 0.37500000 1.0 Sr Sr4 1 0.75000000 0.12500000 0.37500000 1.0 Sr Sr5 1 0.25000000 0.37500000 0.12500000 1.0 Sr Sr6 1 0.87500000 0.62500000 0.25000000 1.0 Sr Sr7 1 0.62500000 0.87500000 0.75000000 1.0 Sr Sr8 1 0.62500000 0.25000000 0.87500000 1.0 Sr Sr9 1 0.87500000 0.75000000 0.62500000 1.0 Sr Sr10 1 0.25000000 0.87500000 0.62500000 1.0 Sr Sr11 1 0.75000000 0.62500000 0.87500000 1.0 Fe Fe12 1 0.00000000 0.50000000 0.00000000 1.0 Fe Fe13 1 0.00000000 0.00000000 0.50000000 1.0 Fe Fe14 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe15 1 0.50000000 0.50000000 0.50000000 1.0 Fe Fe16 1 0.50000000 0.50000000 0.00000000 1.0 Fe Fe17 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe18 1 0.00000000 0.50000000 0.50000000 1.0 Fe Fe19 1 0.00000000 0.00000000 0.00000000 1.0 H H20 1 0.03407100 0.82004100 0.25515300 1.0 H H21 1 0.06488900 0.77891800 0.24484700 1.0 H H22 1 0.43511100 0.67995900 0.71402900 1.0 H H23 1 0.46592900 0.72108200 0.78597100 1.0 H H24 1 0.82004100 0.25515300 0.03407100 1.0 H H25 1 0.77891800 0.24484700 0.06488900 1.0 H H26 1 0.67995900 0.71402900 0.43511100 1.0 H H27 1 0.72108200 0.78597100 0.46592900 1.0 H H28 1 0.25515300 0.03407100 0.82004100 1.0 H H29 1 0.24484700 0.06488900 0.77891800 1.0 H H30 1 0.71402900 0.43511100 0.67995900 1.0 H H31 1 0.78597100 0.46592900 0.72108200 1.0 H H32 1 0.96592900 0.17995900 0.74484700 1.0 H H33 1 0.93511100 0.22108200 0.75515300 1.0 H H34 1 0.56488900 0.32004100 0.28597100 1.0 H H35 1 0.53407100 0.27891800 0.21402900 1.0 H H36 1 0.17995900 0.74484700 0.96592900 1.0 H H37 1 0.22108200 0.75515300 0.93511100 1.0 H H38 1 0.32004100 0.28597100 0.56488900 1.0 H H39 1 0.27891800 0.21402900 0.53407100 1.0 H H40 1 0.74484700 0.96592900 0.17995900 1.0 H H41 1 0.75515300 0.93511100 0.22108200 1.0 H H42 1 0.28597100 0.56488900 0.32004100 1.0 H H43 1 0.21402900 0.53407100 0.27891800 1.0 H H44 1 0.53407100 0.75515300 0.32004100 1.0 H H45 1 0.56488900 0.74484700 0.27891800 1.0 H H46 1 0.93511100 0.21402900 0.17995900 1.0 H H47 1 0.96592900 0.28597100 0.22108200 1.0 H H48 1 0.32004100 0.53407100 0.75515300 1.0 H H49 1 0.27891800 0.56488900 0.74484700 1.0 H H50 1 0.17995900 0.93511100 0.21402900 1.0 H H51 1 0.22108200 0.96592900 0.28597100 1.0 H H52 1 0.75515300 0.32004100 0.53407100 1.0 H H53 1 0.74484700 0.27891800 0.56488900 1.0 H H54 1 0.21402900 0.17995900 0.93511100 1.0 H H55 1 0.28597100 0.22108200 0.96592900 1.0 H H56 1 0.46592900 0.24484700 0.67995900 1.0 H H57 1 0.43511100 0.25515300 0.72108200 1.0 H H58 1 0.06488900 0.78597100 0.82004100 1.0 H H59 1 0.03407100 0.71402900 0.77891800 1.0 H H60 1 0.67995900 0.46592900 0.24484700 1.0 H H61 1 0.72108200 0.43511100 0.25515300 1.0 H H62 1 0.82004100 0.06488900 0.78597100 1.0 H H63 1 0.77891800 0.03407100 0.71402900 1.0 H H64 1 0.24484700 0.67995900 0.46592900 1.0 H H65 1 0.25515300 0.72108200 0.43511100 1.0 H H66 1 0.78597100 0.82004100 0.06488900 1.0 H H67 1 0.71402900 0.77891800 0.03407100 1.0 O O68 1 0.99329100 0.94140400 0.61344100 1.0 O O69 1 0.82796300 0.37985000 0.88655900 1.0 O O70 1 0.67203700 0.55859600 0.55188700 1.0 O O71 1 0.50670900 0.12015000 0.94811300 1.0 O O72 1 0.94140400 0.61344100 0.99329100 1.0 O O73 1 0.37985000 0.88655900 0.82796300 1.0 O O74 1 0.55859600 0.55188700 0.67203700 1.0 O O75 1 0.12015000 0.94811300 0.50670900 1.0 O O76 1 0.61344100 0.99329100 0.94140400 1.0 O O77 1 0.88655900 0.82796300 0.37985000 1.0 O O78 1 0.55188700 0.67203700 0.55859600 1.0 O O79 1 0.94811300 0.50670900 0.12015000 1.0 O O80 1 0.00670900 0.05859600 0.38655900 1.0 O O81 1 0.17203700 0.62015000 0.11344100 1.0 O O82 1 0.32796300 0.44140400 0.44811300 1.0 O O83 1 0.49329100 0.87985000 0.05188700 1.0 O O84 1 0.05859600 0.38655900 0.00670900 1.0 O O85 1 0.62015000 0.11344100 0.17203700 1.0 O O86 1 0.44140400 0.44811300 0.32796300 1.0 O O87 1 0.87985000 0.05188700 0.49329100 1.0 O O88 1 0.38655900 0.00670900 0.05859600 1.0 O O89 1 0.11344100 0.17203700 0.62015000 1.0 O O90 1 0.44811300 0.32796300 0.44140400 1.0 O O91 1 0.05188700 0.49329100 0.87985000 1.0 O O92 1 0.49329100 0.11344100 0.44140400 1.0 O O93 1 0.32796300 0.38655900 0.87985000 1.0 O O94 1 0.17203700 0.05188700 0.05859600 1.0 O O95 1 0.00670900 0.44811300 0.62015000 1.0 O O96 1 0.44140400 0.49329100 0.11344100 1.0 O O97 1 0.87985000 0.32796300 0.38655900 1.0 O O98 1 0.05859600 0.17203700 0.05188700 1.0 O O99 1 0.62015000 0.00670900 0.44811300 1.0 O O100 1 0.11344100 0.44140400 0.49329100 1.0 O O101 1 0.38655900 0.87985000 0.32796300 1.0 O O102 1 0.05188700 0.05859600 0.17203700 1.0 O O103 1 0.44811300 0.62015000 0.00670900 1.0 O O104 1 0.50670900 0.88655900 0.55859600 1.0 O O105 1 0.67203700 0.61344100 0.12015000 1.0 O O106 1 0.82796300 0.94811300 0.94140400 1.0 O O107 1 0.99329100 0.55188700 0.37985000 1.0 O O108 1 0.55859600 0.50670900 0.88655900 1.0 O O109 1 0.12015000 0.67203700 0.61344100 1.0 O O110 1 0.94140400 0.82796300 0.94811300 1.0 O O111 1 0.37985000 0.99329100 0.55188700 1.0 O O112 1 0.88655900 0.55859600 0.50670900 1.0 O O113 1 0.61344100 0.12015000 0.67203700 1.0 O O114 1 0.94811300 0.94140400 0.82796300 1.0 O O115 1 0.55188700 0.37985000 0.99329100 1.0