# generated using pymatgen data_La3MnO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39407800 _cell_length_b 5.42408900 _cell_length_c 21.11332367 _cell_angle_alpha 75.27004193 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3MnO7 _chemical_formula_sum 'La12 Mn4 O28' _cell_volume 597.43093648 _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 La La0 1 0.24577900 0.41780400 0.82243400 1.0 La La1 1 0.24467800 0.07070500 0.17705200 1.0 La La2 1 0.25013000 0.24927100 0.00035300 1.0 La La3 1 0.24987000 0.24927100 0.50035300 1.0 La La4 1 0.25532200 0.07070500 0.67705200 1.0 La La5 1 0.25422100 0.41780400 0.32243400 1.0 La La6 1 0.74577900 0.58219600 0.67756600 1.0 La La7 1 0.74467800 0.92929500 0.32294800 1.0 La La8 1 0.75013000 0.75072900 0.49964700 1.0 La La9 1 0.74987000 0.75072900 0.99964700 1.0 La La10 1 0.75532200 0.92929500 0.82294800 1.0 La La11 1 0.75422100 0.58219600 0.17756600 1.0 Mn Mn12 1 0.24613700 0.65052700 0.59486000 1.0 Mn Mn13 1 0.25386300 0.65052700 0.09486000 1.0 Mn Mn14 1 0.74613700 0.34947300 0.90514000 1.0 Mn Mn15 1 0.75386300 0.34947300 0.40514000 1.0 O O16 1 0.99801800 0.59794300 0.39639800 1.0 O O17 1 0.00366500 0.40963200 0.09645000 1.0 O O18 1 0.00198200 0.40205700 0.60360200 1.0 O O19 1 0.00371000 0.89724800 0.59650200 1.0 O O20 1 0.99458600 0.09846300 0.90995600 1.0 O O21 1 0.99633500 0.59036800 0.90355000 1.0 O O22 1 0.00541400 0.90153700 0.09004400 1.0 O O23 1 0.99629000 0.10275200 0.40349800 1.0 O O24 1 0.22723000 0.72103000 0.50542700 1.0 O O25 1 0.23367900 0.56557000 0.19991200 1.0 O O26 1 0.22899500 0.98659400 0.78807100 1.0 O O27 1 0.26632100 0.56557000 0.69991200 1.0 O O28 1 0.27100500 0.98659400 0.28807100 1.0 O O29 1 0.27277000 0.72103000 0.00542700 1.0 O O30 1 0.50198200 0.59794300 0.89639800 1.0 O O31 1 0.49458600 0.90153700 0.59004400 1.0 O O32 1 0.50371000 0.10275200 0.90349800 1.0 O O33 1 0.49633500 0.40963200 0.59645000 1.0 O O34 1 0.49629000 0.89724800 0.09650200 1.0 O O35 1 0.49801800 0.40205700 0.10360200 1.0 O O36 1 0.50366500 0.59036800 0.40355000 1.0 O O37 1 0.50541400 0.09846300 0.40995600 1.0 O O38 1 0.72723000 0.27897000 0.99457300 1.0 O O39 1 0.73367900 0.43443000 0.30008800 1.0 O O40 1 0.72899500 0.01340600 0.71192900 1.0 O O41 1 0.76632100 0.43443000 0.80008800 1.0 O O42 1 0.77100500 0.01340600 0.21192900 1.0 O O43 1 0.77277000 0.27897000 0.49457300 1.0