# generated using pymatgen data_MnZn2Ni3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80233006 _cell_length_b 5.80233026 _cell_length_c 5.83492630 _cell_angle_alpha 60.18462599 _cell_angle_beta 60.18462384 _cell_angle_gamma 59.99999777 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnZn2Ni3O8 _chemical_formula_sum 'Mn1 Zn2 Ni3 O8' _cell_volume 139.29373026 _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 0.12500000 0.12500000 0.62500000 1.0 Zn Zn1 1 0.75669659 0.75669659 0.72990924 1.0 Zn Zn2 1 0.49330341 0.49330341 0.52009076 1.0 Ni Ni3 1 0.12500000 0.12500000 0.12500000 1.0 Ni Ni4 1 0.62500000 0.12500000 0.12500000 1.0 Ni Ni5 1 0.12500000 0.62500000 0.12500000 1.0 O O6 1 0.89379622 0.34543762 0.86696995 1.0 O O7 1 0.35564233 0.35564233 0.93307300 1.0 O O8 1 0.35620378 0.35620378 0.38303005 1.0 O O9 1 0.90456238 0.35620378 0.38303005 1.0 O O10 1 0.89379622 0.89379622 0.86696995 1.0 O O11 1 0.34543762 0.89379622 0.86696995 1.0 O O12 1 0.35620378 0.90456238 0.38303005 1.0 O O13 1 0.89435767 0.89435767 0.31692700 1.0