# generated using pymatgen data_Nb4Tc3NiP4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71789040 _cell_length_b 6.32169625 _cell_length_c 7.22875332 _cell_angle_alpha 90.42645854 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4Tc3NiP4 _chemical_formula_sum 'Nb4 Tc3 Ni1 P4' _cell_volume 169.89538529 _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 0.52677573 0.66854055 1.0 Nb Nb1 1 0.25000000 0.02242955 0.82663543 1.0 Nb Nb2 1 0.75000000 0.97261295 0.17370224 1.0 Nb Nb3 1 0.75000000 0.46840630 0.32590806 1.0 Tc Tc4 1 0.75000000 0.36517514 0.94588711 1.0 Tc Tc5 1 0.25000000 0.15051000 0.43901956 1.0 Tc Tc6 1 0.75000000 0.85246192 0.55682085 1.0 Ni Ni7 1 0.25000000 0.65212172 0.06514501 1.0 P P8 1 0.25000000 0.76705796 0.36902746 1.0 P P9 1 0.25000000 0.26708515 0.12228904 1.0 P P10 1 0.75000000 0.22687155 0.63208287 1.0 P P11 1 0.75000000 0.72849203 0.87494182 1.0