# generated using pymatgen data_BaGd2Mn2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56100071 _cell_length_b 5.56100071 _cell_length_c 19.82938477 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaGd2Mn2O7 _chemical_formula_sum 'Ba4 Gd8 Mn8 O28' _cell_volume 613.21834820 _cell_formula_units_Z 4 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 0.24553757 0.24553757 -0.00000000 1.0 Ba Ba1 1 0.25446243 0.74553757 0.50000000 1.0 Ba Ba2 1 0.74553757 0.25446243 0.50000000 1.0 Ba Ba3 1 0.75446243 0.75446243 -0.00000000 1.0 Gd Gd4 1 0.22791622 0.22791622 0.18306679 1.0 Gd Gd5 1 0.27208378 0.72791622 0.68306679 1.0 Gd Gd6 1 0.72791622 0.27208378 0.68306679 1.0 Gd Gd7 1 0.72791622 0.27208378 0.31693321 1.0 Gd Gd8 1 0.27208378 0.72791622 0.31693321 1.0 Gd Gd9 1 0.77208378 0.77208378 0.18306679 1.0 Gd Gd10 1 0.22791622 0.22791622 0.81693321 1.0 Gd Gd11 1 0.77208378 0.77208378 0.81693321 1.0 Mn Mn12 1 0.24664998 0.24664998 0.39755510 1.0 Mn Mn13 1 0.25335002 0.74664998 0.89755510 1.0 Mn Mn14 1 0.74664998 0.25335002 0.89755510 1.0 Mn Mn15 1 0.74664998 0.25335002 0.10244490 1.0 Mn Mn16 1 0.25335002 0.74664998 0.10244490 1.0 Mn Mn17 1 0.75335002 0.75335002 0.39755510 1.0 Mn Mn18 1 0.24664998 0.24664998 0.60244490 1.0 Mn Mn19 1 0.75335002 0.75335002 0.60244490 1.0 O O20 1 0.26849787 0.73150213 -0.00000000 1.0 O O21 1 0.76849787 0.76849787 0.50000000 1.0 O O22 1 0.23150213 0.23150213 0.50000000 1.0 O O23 1 0.73150213 0.26849787 -0.00000000 1.0 O O24 1 -0.00000000 0.50000000 0.38875337 1.0 O O25 1 -0.00000000 0.50000000 0.88875337 1.0 O O26 1 0.50000000 0.00000000 0.11124663 1.0 O O27 1 0.50000000 0.00000000 0.61124663 1.0 O O28 1 -0.00000000 0.50000000 0.61124663 1.0 O O29 1 -0.00000000 0.50000000 0.11124663 1.0 O O30 1 0.50000000 0.00000000 0.88875337 1.0 O O31 1 0.50000000 0.00000000 0.38875337 1.0 O O32 1 -0.00000000 0.00000000 0.09877733 1.0 O O33 1 0.50000000 0.50000000 0.59877733 1.0 O O34 1 0.50000000 0.50000000 0.40122267 1.0 O O35 1 -0.00000000 0.00000000 0.90122267 1.0 O O36 1 -0.00000000 0.00000000 0.37730573 1.0 O O37 1 0.50000000 0.50000000 0.87730573 1.0 O O38 1 0.50000000 0.50000000 0.12269427 1.0 O O39 1 -0.00000000 0.00000000 0.62269427 1.0 O O40 1 0.30313598 0.30313598 0.29072448 1.0 O O41 1 0.19686402 0.80313598 0.79072448 1.0 O O42 1 0.80313598 0.19686402 0.79072448 1.0 O O43 1 0.80313598 0.19686402 0.20927552 1.0 O O44 1 0.19686402 0.80313598 0.20927552 1.0 O O45 1 0.69686402 0.69686402 0.29072448 1.0 O O46 1 0.30313598 0.30313598 0.70927552 1.0 O O47 1 0.69686402 0.69686402 0.70927552 1.0