# generated using pymatgen data_Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80117300 _cell_length_b 6.31954938 _cell_length_c 24.91798933 _cell_angle_alpha 90.00000508 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe _chemical_formula_sum Fe38 _cell_volume 441.10201205 _cell_formula_units_Z 38 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 0.000000 0.000000 0.750000 1 Fe Fe1 1 0.500000 0.300253 0.774609 1 Fe Fe2 1 0.000000 0.599615 0.801763 1 Fe Fe3 1 0.500000 0.699747 0.725391 1 Fe Fe4 1 0.000000 0.400385 0.698237 1 Fe Fe5 1 0.500000 0.288103 0.500000 1 Fe Fe6 1 0.000000 0.948007 0.500000 1 Fe Fe7 1 0.500000 0.897227 0.575107 1 Fe Fe8 1 0.000000 0.591759 0.546314 1 Fe Fe9 1 0.500000 0.498809 0.622303 1 Fe Fe10 1 0.000000 0.800225 0.649472 1 Fe Fe11 1 0.000000 0.204409 0.591293 1 Fe Fe12 1 0.500000 0.103367 0.672142 1 Fe Fe13 1 0.000000 0.591759 0.453686 1 Fe Fe14 1 0.500000 0.498809 0.377697 1 Fe Fe15 1 0.000000 0.800225 0.350528 1 Fe Fe16 1 0.500000 0.699747 0.274609 1 Fe Fe17 1 0.000000 0.400385 0.301763 1 Fe Fe18 1 0.000000 0.000000 0.250000 1 Fe Fe19 1 0.500000 0.103367 0.327858 1 Fe Fe20 1 0.000000 0.204409 0.408707 1 Fe Fe21 1 0.500000 0.897227 0.424893 1 Fe Fe22 1 0.000000 0.795591 0.908707 1 Fe Fe23 1 0.500000 0.896633 0.827858 1 Fe Fe24 1 0.000000 0.199775 0.850528 1 Fe Fe25 1 0.500000 0.102773 0.924893 1 Fe Fe26 1 0.500000 0.711897 0.000000 1 Fe Fe27 1 0.000000 0.408241 0.953686 1 Fe Fe28 1 0.500000 0.501191 0.877697 1 Fe Fe29 1 0.000000 0.408241 0.046314 1 Fe Fe30 1 0.500000 0.501191 0.122303 1 Fe Fe31 1 0.000000 0.199775 0.149472 1 Fe Fe32 1 0.500000 0.896633 0.172142 1 Fe Fe33 1 0.500000 0.300253 0.225391 1 Fe Fe34 1 0.000000 0.599615 0.198237 1 Fe Fe35 1 0.000000 0.795591 0.091293 1 Fe Fe36 1 0.500000 0.102773 0.075107 1 Fe Fe37 1 0.000000 0.051993 0.000000 1