# generated using pymatgen data_Nb4V4SiP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41974535 _cell_length_b 6.43343074 _cell_length_c 7.75465573 _cell_angle_alpha 89.83193726 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4V4SiP3 _chemical_formula_sum 'Nb4 V4 Si1 P3' _cell_volume 170.60708081 _cell_formula_units_Z 1 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 Nb Nb0 1 0.25000000 0.03915628 0.83060209 1.0 Nb Nb1 1 0.25000000 0.54066696 0.66916657 1.0 Nb Nb2 1 0.75000000 0.96154106 0.16665165 1.0 Nb Nb3 1 0.75000000 0.45493355 0.33026025 1.0 V V4 1 0.25000000 0.13790281 0.44349844 1.0 V V5 1 0.25000000 0.63245328 0.05468715 1.0 V V6 1 0.75000000 0.86953738 0.56168450 1.0 V V7 1 0.75000000 0.36466148 0.94212706 1.0 Si Si8 1 0.25000000 0.75765009 0.36082310 1.0 P P9 1 0.25000000 0.25839398 0.13863039 1.0 P P10 1 0.75000000 0.24328200 0.64021700 1.0 P P11 1 0.75000000 0.73982213 0.86165380 1.0