# generated using pymatgen data_FeAs2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.13499964 _cell_length_b 9.43740100 _cell_length_c 9.58460537 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.04267554 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeAs2O7 _chemical_formula_sum 'Fe4 As8 O28' _cell_volume 620.25368394 _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 Fe Fe0 1 0.82032400 0.06865000 0.71448600 1.0 Fe Fe1 1 0.17967600 0.56865000 0.78551400 1.0 Fe Fe2 1 0.17967600 0.93135000 0.28551400 1.0 Fe Fe3 1 0.82032400 0.43135000 0.21448600 1.0 As As4 1 0.40949800 0.25758900 0.74409800 1.0 As As5 1 0.59050200 0.75758900 0.75590200 1.0 As As6 1 0.59050200 0.74241100 0.25590200 1.0 As As7 1 0.40949800 0.24241100 0.24409800 1.0 As As8 1 0.02199900 0.29732900 0.96285200 1.0 As As9 1 0.97800100 0.79732900 0.53714800 1.0 As As10 1 0.97800100 0.70267100 0.03714800 1.0 As As11 1 0.02199900 0.20267100 0.46285200 1.0 O O12 1 0.84263300 0.32261000 0.04563200 1.0 O O13 1 0.15736700 0.82261000 0.45436800 1.0 O O14 1 0.15736700 0.67739000 0.95436800 1.0 O O15 1 0.84263300 0.17739000 0.54563200 1.0 O O16 1 0.36788600 0.43501100 0.74437300 1.0 O O17 1 0.63211400 0.93501100 0.75562700 1.0 O O18 1 0.63211400 0.56498900 0.25562700 1.0 O O19 1 0.36788600 0.06498900 0.24437300 1.0 O O20 1 0.39009600 0.16254000 0.89377800 1.0 O O21 1 0.60990400 0.66254000 0.60622200 1.0 O O22 1 0.60990400 0.83746000 0.10622200 1.0 O O23 1 0.39009600 0.33746000 0.39377800 1.0 O O24 1 0.24690900 0.16821700 0.59537300 1.0 O O25 1 0.75309100 0.66821700 0.90462700 1.0 O O26 1 0.75309100 0.83178300 0.40462700 1.0 O O27 1 0.24690900 0.33178300 0.09537300 1.0 O O28 1 0.02475200 0.08640200 0.32852900 1.0 O O29 1 0.97524800 0.58640200 0.17147100 1.0 O O30 1 0.97524800 0.91359800 0.67147100 1.0 O O31 1 0.02475200 0.41359800 0.82852900 1.0 O O32 1 0.63809800 0.27387600 0.23041200 1.0 O O33 1 0.36190200 0.77387600 0.26958800 1.0 O O34 1 0.36190200 0.72612400 0.76958800 1.0 O O35 1 0.63809800 0.22612400 0.73041200 1.0 O O36 1 0.01645600 0.37155500 0.39332600 1.0 O O37 1 0.98354400 0.87155500 0.10667400 1.0 O O38 1 0.98354400 0.62844500 0.60667400 1.0 O O39 1 0.01645600 0.12844500 0.89332600 1.0