# generated using pymatgen data_BaMn4O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.61520288 _cell_length_b 6.61520288 _cell_length_c 10.82809700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000881 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMn4O7 _chemical_formula_sum 'Ba2 Mn8 O14' _cell_volume 410.36382274 _cell_formula_units_Z 2 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 Ba Ba0 1 0.66666700 0.33333300 0.46384000 1.0 Ba Ba1 1 0.33333300 0.66666700 0.96384000 1.0 Mn Mn2 1 0.83059300 0.16940700 0.19136400 1.0 Mn Mn3 1 0.66118700 0.83059300 0.69136400 1.0 Mn Mn4 1 0.16940700 0.33881300 0.69136400 1.0 Mn Mn5 1 0.83059300 0.66118700 0.19136400 1.0 Mn Mn6 1 0.33881300 0.16940700 0.19136400 1.0 Mn Mn7 1 0.16940700 0.83059300 0.69136400 1.0 Mn Mn8 1 0.00000000 0.00000000 0.44742500 1.0 Mn Mn9 1 0.00000000 0.00000000 0.94742500 1.0 O O10 1 0.85498600 0.14501400 0.01291900 1.0 O O11 1 0.70997100 0.85498600 0.51291900 1.0 O O12 1 0.14501400 0.29002900 0.51291900 1.0 O O13 1 0.85498600 0.70997100 0.01291900 1.0 O O14 1 0.29002900 0.14501400 0.01291900 1.0 O O15 1 0.14501400 0.85498600 0.51291900 1.0 O O16 1 0.00000000 0.00000000 0.76150000 1.0 O O17 1 0.00000000 0.00000000 0.26150000 1.0 O O18 1 0.52407900 0.47592100 0.25614600 1.0 O O19 1 0.04815800 0.52407900 0.75614600 1.0 O O20 1 0.47592100 0.95184200 0.75614600 1.0 O O21 1 0.52407900 0.04815800 0.25614600 1.0 O O22 1 0.47592100 0.52407900 0.75614600 1.0 O O23 1 0.95184200 0.47592100 0.25614600 1.0