# generated using pymatgen data_Nd3VFeC6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.30087323 _cell_length_b 8.30087284 _cell_length_c 5.15576827 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000156 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3VFeC6 _chemical_formula_sum 'Nd6 V2 Fe2 C12' _cell_volume 307.66036913 _cell_formula_units_Z 2 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 Nd Nd0 1 0.61648650 0.68225486 0.75000000 1.0 Nd Nd1 1 0.93423163 0.61648650 0.25000000 1.0 Nd Nd2 1 0.68225486 0.06576837 0.25000000 1.0 Nd Nd3 1 0.31774514 0.93423163 0.75000000 1.0 Nd Nd4 1 0.06576837 0.38351350 0.75000000 1.0 Nd Nd5 1 0.38351350 0.31774514 0.25000000 1.0 V V6 1 0.00000000 0.00000000 0.50000000 1.0 V V7 1 0.00000000 0.00000000 0.00000000 1.0 Fe Fe8 1 0.66666700 0.33333300 0.75000000 1.0 Fe Fe9 1 0.33333300 0.66666700 0.25000000 1.0 C C10 1 0.95377799 0.76233548 0.75000000 1.0 C C11 1 0.19144351 0.95377799 0.25000000 1.0 C C12 1 0.76233548 0.80855649 0.25000000 1.0 C C13 1 0.23766452 0.19144351 0.75000000 1.0 C C14 1 0.80855649 0.04622201 0.75000000 1.0 C C15 1 0.04622201 0.23766452 0.25000000 1.0 C C16 1 0.86184313 0.57321437 0.75000000 1.0 C C17 1 0.28862877 0.86184313 0.25000000 1.0 C C18 1 0.57321437 0.71137123 0.25000000 1.0 C C19 1 0.42678563 0.28862877 0.75000000 1.0 C C20 1 0.13815687 0.42678563 0.25000000 1.0 C C21 1 0.71137123 0.13815687 0.75000000 1.0