# generated using pymatgen data_Mn3Nb4FeP4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50740244 _cell_length_b 6.23358256 _cell_length_c 7.43522335 _cell_angle_alpha 90.10141781 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3Nb4FeP4 _chemical_formula_sum 'Mn3 Nb4 Fe1 P4' _cell_volume 162.56110933 _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 0.63974687 0.56187915 1.0 Mn Mn1 1 0.75000000 0.36152501 0.43925905 1.0 Mn Mn2 1 0.75000000 0.86321449 0.06043783 1.0 Nb Nb3 1 0.25000000 0.53127989 0.16668503 1.0 Nb Nb4 1 0.75000000 0.46734718 0.83235908 1.0 Nb Nb5 1 0.75000000 0.96550303 0.66826386 1.0 Nb Nb6 1 0.25000000 0.03333727 0.33263437 1.0 Fe Fe7 1 0.25000000 0.13864110 0.93878110 1.0 P P8 1 0.25000000 0.76700320 0.86851890 1.0 P P9 1 0.75000000 0.23305938 0.13007477 1.0 P P10 1 0.75000000 0.73249985 0.36796086 1.0 P P11 1 0.25000000 0.26684271 0.63314500 1.0