# generated using pymatgen data_Fe2P12W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68603000 _cell_length_b 11.12187200 _cell_length_c 13.75994900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2P12W _chemical_formula_sum 'Fe8 P48 W4' _cell_volume 870.16951319 _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 0.89648200 0.95900200 0.34967500 1.0 Fe Fe1 1 0.60351800 0.45900200 0.15032500 1.0 Fe Fe2 1 0.60351800 0.04099800 0.84967500 1.0 Fe Fe3 1 0.89648200 0.54099800 0.65032500 1.0 Fe Fe4 1 0.10351800 0.04099800 0.65032500 1.0 Fe Fe5 1 0.39648200 0.54099800 0.84967500 1.0 Fe Fe6 1 0.39648200 0.95900200 0.15032500 1.0 Fe Fe7 1 0.10351800 0.45900200 0.34967500 1.0 P P8 1 0.01684600 0.69562300 0.16794400 1.0 P P9 1 0.48315400 0.19562300 0.33205600 1.0 P P10 1 0.48315400 0.30437700 0.66794400 1.0 P P11 1 0.01684600 0.80437700 0.83205600 1.0 P P12 1 0.98315400 0.30437700 0.83205600 1.0 P P13 1 0.51684600 0.80437700 0.66794400 1.0 P P14 1 0.51684600 0.69562300 0.33205600 1.0 P P15 1 0.98315400 0.19562300 0.16794400 1.0 P P16 1 0.88091300 0.77138100 0.31061400 1.0 P P17 1 0.61908700 0.27138100 0.18938600 1.0 P P18 1 0.61908700 0.22861900 0.81061400 1.0 P P19 1 0.88091300 0.72861900 0.68938600 1.0 P P20 1 0.11908700 0.22861900 0.68938600 1.0 P P21 1 0.38091300 0.72861900 0.81061400 1.0 P P22 1 0.38091300 0.77138100 0.18938600 1.0 P P23 1 0.11908700 0.27138100 0.31061400 1.0 P P24 1 0.74383100 0.89795600 0.49145600 1.0 P P25 1 0.75616900 0.39795600 0.00854400 1.0 P P26 1 0.75616900 0.10204400 0.99145600 1.0 P P27 1 0.74383100 0.60204400 0.50854400 1.0 P P28 1 0.25616900 0.10204400 0.50854400 1.0 P P29 1 0.24383100 0.60204400 0.99145600 1.0 P P30 1 0.24383100 0.89795600 0.00854400 1.0 P P31 1 0.25616900 0.39795600 0.49145600 1.0 P P32 1 0.56222600 0.64442400 0.08678900 1.0 P P33 1 0.93777400 0.14442400 0.41321100 1.0 P P34 1 0.93777400 0.35557600 0.58678900 1.0 P P35 1 0.56222600 0.85557600 0.91321100 1.0 P P36 1 0.43777400 0.35557600 0.91321100 1.0 P P37 1 0.06222600 0.85557600 0.58678900 1.0 P P38 1 0.06222600 0.64442400 0.41321100 1.0 P P39 1 0.43777400 0.14442400 0.08678900 1.0 P P40 1 0.76489500 0.93880700 0.09152400 1.0 P P41 1 0.73510500 0.43880700 0.40847600 1.0 P P42 1 0.73510500 0.06119300 0.59152400 1.0 P P43 1 0.76489500 0.56119300 0.90847600 1.0 P P44 1 0.23510500 0.06119300 0.90847600 1.0 P P45 1 0.26489500 0.56119300 0.59152400 1.0 P P46 1 0.26489500 0.93880700 0.40847600 1.0 P P47 1 0.23510500 0.43880700 0.09152400 1.0 P P48 1 0.53297000 0.99991600 0.29721300 1.0 P P49 1 0.96703000 0.49991600 0.20278700 1.0 P P50 1 0.96703000 0.00008400 0.79721300 1.0 P P51 1 0.53297000 0.50008400 0.70278700 1.0 P P52 1 0.46703000 0.00008400 0.70278700 1.0 P P53 1 0.03297000 0.50008400 0.79721300 1.0 P P54 1 0.03297000 0.99991600 0.20278700 1.0 P P55 1 0.46703000 0.49991600 0.29721300 1.0 W W56 1 0.89937400 0.75000000 0.00000000 1.0 W W57 1 0.60062600 0.25000000 0.50000000 1.0 W W58 1 0.10062600 0.25000000 0.00000000 1.0 W W59 1 0.39937400 0.75000000 0.50000000 1.0