# generated using pymatgen data_Hf4Nb4SiP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53600787 _cell_length_b 6.90173288 _cell_length_c 8.35246269 _cell_angle_alpha 89.73496252 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4Nb4SiP3 _chemical_formula_sum 'Hf4 Nb4 Si1 P3' _cell_volume 203.83617790 _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 Hf Hf0 1 0.25000000 0.03524106 0.66600171 1.0 Hf Hf1 1 0.25000000 0.53221262 0.83151454 1.0 Hf Hf2 1 0.75000000 0.46681333 0.16479500 1.0 Hf Hf3 1 0.75000000 0.96313035 0.33344007 1.0 Nb Nb4 1 0.75000000 0.85749574 0.93930544 1.0 Nb Nb5 1 0.25000000 0.64162943 0.44058863 1.0 Nb Nb6 1 0.75000000 0.36370119 0.56374815 1.0 Nb Nb7 1 0.25000000 0.13772821 0.05774682 1.0 Si Si8 1 0.25000000 0.26107490 0.35840382 1.0 P P9 1 0.25000000 0.76181592 0.14455383 1.0 P P10 1 0.75000000 0.74209682 0.64307655 1.0 P P11 1 0.75000000 0.23706044 0.85682445 1.0