# generated using pymatgen data_Mn3CuNi2(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.43322467 _cell_length_b 8.43322467 _cell_length_c 8.43322468 _cell_angle_alpha 60.61911629 _cell_angle_beta 60.61911629 _cell_angle_gamma 60.61910995 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3CuNi2(PO4)6 _chemical_formula_sum 'Mn3 Cu1 Ni2 P6 O24' _cell_volume 430.02709933 _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 0.14148200 0.14148200 0.14148200 1.0 Mn Mn1 1 0.35804300 0.35804300 0.35804300 1.0 Mn Mn2 1 0.64187900 0.64187900 0.64187900 1.0 Cu Cu3 1 0.85700200 0.85700200 0.85700200 1.0 Ni Ni4 1 0.99801600 0.99801600 0.99801600 1.0 Ni Ni5 1 0.49980700 0.49980700 0.49980700 1.0 P P6 1 0.75052100 0.04112400 0.45817100 1.0 P P7 1 0.04112400 0.45817100 0.75052100 1.0 P P8 1 0.45817100 0.75052100 0.04112400 1.0 P P9 1 0.54091600 0.24987900 0.96065800 1.0 P P10 1 0.96065800 0.54091600 0.24987900 1.0 P P11 1 0.24987900 0.96065800 0.54091600 1.0 O O12 1 0.31010100 0.12296300 0.50447700 1.0 O O13 1 0.50447700 0.31010100 0.12296300 1.0 O O14 1 0.91374100 0.05642700 0.25732300 1.0 O O15 1 0.12296300 0.50447700 0.31010100 1.0 O O16 1 0.80462900 0.01920200 0.61545100 1.0 O O17 1 0.58275700 0.24166500 0.44000000 1.0 O O18 1 0.05642700 0.25732300 0.91374100 1.0 O O19 1 0.24166500 0.44000000 0.58275700 1.0 O O20 1 0.37863100 0.19509400 0.99023300 1.0 O O21 1 0.44000000 0.58275700 0.24166500 1.0 O O22 1 0.73915400 0.08914700 0.94791600 1.0 O O23 1 0.99023300 0.37863100 0.19509400 1.0 O O24 1 0.01920200 0.61545100 0.80462900 1.0 O O25 1 0.25732300 0.91374100 0.05642700 1.0 O O26 1 0.55235400 0.41711100 0.76172700 1.0 O O27 1 0.61545100 0.80462900 0.01920200 1.0 O O28 1 0.76172700 0.55235400 0.41711100 1.0 O O29 1 0.94791600 0.73915400 0.08914700 1.0 O O30 1 0.41711100 0.76172700 0.55235400 1.0 O O31 1 0.19509400 0.99023300 0.37863100 1.0 O O32 1 0.87903400 0.48914700 0.69422000 1.0 O O33 1 0.08914700 0.94791600 0.73915400 1.0 O O34 1 0.48914700 0.69422000 0.87903400 1.0 O O35 1 0.69422000 0.87903400 0.48914700 1.0