# generated using pymatgen data_Mn3Nb4NiP4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53016156 _cell_length_b 6.23117304 _cell_length_c 7.32684889 _cell_angle_alpha 90.41434549 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3Nb4NiP4 _chemical_formula_sum 'Mn3 Nb4 Ni1 P4' _cell_volume 161.16482897 _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 Mn Mn0 1 0.25000000 0.13769992 0.43632079 1.0 Mn Mn1 1 0.75000000 0.35912886 0.93873236 1.0 Mn Mn2 1 0.25000000 0.64106270 0.06237356 1.0 Nb Nb3 1 0.25000000 0.52926276 0.66938396 1.0 Nb Nb4 1 0.75000000 0.47250117 0.33442454 1.0 Nb Nb5 1 0.25000000 0.03419434 0.82855382 1.0 Nb Nb6 1 0.75000000 0.96788728 0.16967252 1.0 Ni Ni7 1 0.75000000 0.85723429 0.56026572 1.0 P P8 1 0.25000000 0.26862623 0.13177775 1.0 P P9 1 0.75000000 0.73221959 0.86479827 1.0 P P10 1 0.25000000 0.77047504 0.37662734 1.0 P P11 1 0.75000000 0.22970881 0.62706938 1.0