# generated using pymatgen data_Ba2YMn3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97741700 _cell_length_b 23.70471900 _cell_length_c 3.97741400 _cell_angle_alpha 90.00028666 _cell_angle_beta 89.99507339 _cell_angle_gamma 90.00024326 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2YMn3O8 _chemical_formula_sum 'Ba4 Y2 Mn6 O16' _cell_volume 375.00472031 _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 0.50000200 0.08208500 0.49999400 1.0 Ba Ba1 1 0.50000200 0.58208600 0.49999400 1.0 Ba Ba2 1 0.49999900 0.41793800 0.49999400 1.0 Ba Ba3 1 0.49999800 0.91792500 0.49999400 1.0 Y Y4 1 0.50000200 0.25000800 0.50000700 1.0 Y Y5 1 0.50000200 0.74998700 0.50000800 1.0 Mn Mn6 1 0.99999400 0.50000200 0.99998800 1.0 Mn Mn7 1 0.99998900 0.67147100 0.00001200 1.0 Mn Mn8 1 0.00000700 0.32852400 0.99999500 1.0 Mn Mn9 1 0.99999200 0.00000700 0.99998700 1.0 Mn Mn10 1 0.99998200 0.17145600 0.00000300 1.0 Mn Mn11 1 0.00001000 0.82853400 0.00000700 1.0 O O12 1 0.99999400 0.00000300 0.50000100 1.0 O O13 1 0.99999400 0.50000100 0.50000000 1.0 O O14 1 0.50000400 0.00000300 0.99999800 1.0 O O15 1 0.50000400 0.50000100 0.99999900 1.0 O O16 1 0.00000200 0.08583600 0.99999600 1.0 O O17 1 0.00000200 0.58583100 0.99999500 1.0 O O18 1 0.00000100 0.41416300 0.99999400 1.0 O O19 1 0.00000000 0.91414600 0.99999300 1.0 O O20 1 0.49999500 0.19070600 0.00001600 1.0 O O21 1 0.49999600 0.69069600 0.00001500 1.0 O O22 1 0.00000400 0.19070600 0.50001100 1.0 O O23 1 0.00000600 0.69069600 0.50001100 1.0 O O24 1 0.50000500 0.30930200 0.99999200 1.0 O O25 1 0.50000500 0.80929300 0.99999300 1.0 O O26 1 0.00000300 0.30930200 0.50000200 1.0 O O27 1 0.00000300 0.80929300 0.50000200 1.0