# generated using pymatgen data_VFe7N4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.80419857 _cell_length_b 9.80419857 _cell_length_c 9.80419857 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VFe7N4 _chemical_formula_sum 'V8 Fe56 N32' _cell_volume 942.40221033 _cell_formula_units_Z 8 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 V V0 1 0.50000000 0.50000000 0.50000000 1.0 V V1 1 -0.00000000 -0.00000000 -0.00000000 1.0 V V2 1 0.50000000 -0.00000000 0.25000000 1.0 V V3 1 -0.00000000 0.75000000 0.50000000 1.0 V V4 1 0.25000000 0.50000000 -0.00000000 1.0 V V5 1 -0.00000000 0.25000000 0.50000000 1.0 V V6 1 0.75000000 0.50000000 -0.00000000 1.0 V V7 1 0.50000000 -0.00000000 0.75000000 1.0 Fe Fe8 1 -0.00000000 -0.00000000 0.50000000 1.0 Fe Fe9 1 -0.00000000 0.50000000 -0.00000000 1.0 Fe Fe10 1 0.50000000 -0.00000000 -0.00000000 1.0 Fe Fe11 1 0.50000000 -0.00000000 0.50000000 1.0 Fe Fe12 1 0.50000000 0.50000000 -0.00000000 1.0 Fe Fe13 1 -0.00000000 0.50000000 0.50000000 1.0 Fe Fe14 1 -0.00000000 0.50000000 0.25000000 1.0 Fe Fe15 1 0.50000000 0.75000000 -0.00000000 1.0 Fe Fe16 1 0.25000000 -0.00000000 0.50000000 1.0 Fe Fe17 1 0.50000000 0.25000000 -0.00000000 1.0 Fe Fe18 1 0.75000000 -0.00000000 0.50000000 1.0 Fe Fe19 1 -0.00000000 0.50000000 0.75000000 1.0 Fe Fe20 1 0.29119618 0.70880382 0.29119618 1.0 Fe Fe21 1 0.70880382 0.29119618 0.29119618 1.0 Fe Fe22 1 0.29119618 0.29119618 0.70880382 1.0 Fe Fe23 1 0.70880382 0.70880382 0.70880382 1.0 Fe Fe24 1 0.79119618 0.79119618 0.20880382 1.0 Fe Fe25 1 0.20880382 0.79119618 0.79119618 1.0 Fe Fe26 1 0.79119618 0.20880382 0.79119618 1.0 Fe Fe27 1 0.20880382 0.20880382 0.20880382 1.0 Fe Fe28 1 0.50000000 0.50000000 0.24936964 1.0 Fe Fe29 1 0.50000000 0.75063036 0.50000000 1.0 Fe Fe30 1 0.24936964 0.50000000 0.50000000 1.0 Fe Fe31 1 0.50000000 0.24936964 0.50000000 1.0 Fe Fe32 1 0.75063036 0.50000000 0.50000000 1.0 Fe Fe33 1 0.50000000 0.50000000 0.75063036 1.0 Fe Fe34 1 -0.00000000 0.74936964 -0.00000000 1.0 Fe Fe35 1 -0.00000000 -0.00000000 0.25063036 1.0 Fe Fe36 1 0.74936964 -0.00000000 -0.00000000 1.0 Fe Fe37 1 -0.00000000 -0.00000000 0.74936964 1.0 Fe Fe38 1 0.25063036 -0.00000000 -0.00000000 1.0 Fe Fe39 1 -0.00000000 0.25063036 -0.00000000 1.0 Fe Fe40 1 0.55184332 0.74153141 0.24033335 1.0 Fe Fe41 1 0.25846859 0.75966665 0.55184332 1.0 Fe Fe42 1 0.24033335 0.44815668 0.25846859 1.0 Fe Fe43 1 0.44815668 0.25846859 0.24033335 1.0 Fe Fe44 1 0.74153141 0.24033335 0.55184332 1.0 Fe Fe45 1 0.75966665 0.55184332 0.25846859 1.0 Fe Fe46 1 0.55184332 0.25846859 0.75966665 1.0 Fe Fe47 1 0.25846859 0.24033335 0.44815668 1.0 Fe Fe48 1 0.24033335 0.55184332 0.74153141 1.0 Fe Fe49 1 0.44815668 0.74153141 0.75966665 1.0 Fe Fe50 1 0.74153141 0.75966665 0.44815668 1.0 Fe Fe51 1 0.75966665 0.44815668 0.74153141 1.0 Fe Fe52 1 0.05184332 0.74033335 0.24153141 1.0 Fe Fe53 1 0.75846859 0.05184332 0.25966665 1.0 Fe Fe54 1 0.74033335 0.75846859 0.94815668 1.0 Fe Fe55 1 0.94815668 0.74033335 0.75846859 1.0 Fe Fe56 1 0.24153141 0.05184332 0.74033335 1.0 Fe Fe57 1 0.25966665 0.75846859 0.05184332 1.0 Fe Fe58 1 0.05184332 0.25966665 0.75846859 1.0 Fe Fe59 1 0.75846859 0.94815668 0.74033335 1.0 Fe Fe60 1 0.74033335 0.24153141 0.05184332 1.0 Fe Fe61 1 0.94815668 0.25966665 0.24153141 1.0 Fe Fe62 1 0.24153141 0.94815668 0.25966665 1.0 Fe Fe63 1 0.25966665 0.24153141 0.94815668 1.0 N N64 1 0.39399482 0.60600518 0.39399482 1.0 N N65 1 0.60600518 0.39399482 0.39399482 1.0 N N66 1 0.39399482 0.39399482 0.60600518 1.0 N N67 1 0.60600518 0.60600518 0.60600518 1.0 N N68 1 0.89399482 0.89399482 0.10600518 1.0 N N69 1 0.10600518 0.89399482 0.89399482 1.0 N N70 1 0.89399482 0.10600518 0.89399482 1.0 N N71 1 0.10600518 0.10600518 0.10600518 1.0 N N72 1 0.39440515 0.83606848 0.17275964 1.0 N N73 1 0.16393152 0.82724036 0.39440515 1.0 N N74 1 0.17275964 0.60559485 0.16393152 1.0 N N75 1 0.60559485 0.16393152 0.17275964 1.0 N N76 1 0.83606848 0.17275964 0.39440515 1.0 N N77 1 0.82724036 0.39440515 0.16393152 1.0 N N78 1 0.39440515 0.16393152 0.82724036 1.0 N N79 1 0.16393152 0.17275964 0.60559485 1.0 N N80 1 0.17275964 0.39440515 0.83606848 1.0 N N81 1 0.60559485 0.83606848 0.82724036 1.0 N N82 1 0.83606848 0.82724036 0.60559485 1.0 N N83 1 0.82724036 0.60559485 0.83606848 1.0 N N84 1 0.89440515 0.67275964 0.33606848 1.0 N N85 1 0.66393152 0.89440515 0.32724036 1.0 N N86 1 0.67275964 0.66393152 0.10559485 1.0 N N87 1 0.10559485 0.67275964 0.66393152 1.0 N N88 1 0.33606848 0.89440515 0.67275964 1.0 N N89 1 0.32724036 0.66393152 0.89440515 1.0 N N90 1 0.89440515 0.32724036 0.66393152 1.0 N N91 1 0.66393152 0.10559485 0.67275964 1.0 N N92 1 0.67275964 0.33606848 0.89440515 1.0 N N93 1 0.10559485 0.32724036 0.33606848 1.0 N N94 1 0.33606848 0.10559485 0.32724036 1.0 N N95 1 0.32724036 0.33606848 0.10559485 1.0