# generated using pymatgen data_Mn2PC5NO11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.47263300 _cell_length_b 7.71379762 _cell_length_c 9.60724413 _cell_angle_alpha 75.36236080 _cell_angle_beta 78.67008523 _cell_angle_gamma 82.92698880 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2PC5NO11 _chemical_formula_sum 'Mn4 P2 C10 N2 O22' _cell_volume 523.79006541 _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 Mn Mn0 1 0.83900300 0.02997000 0.24277400 1.0 Mn Mn1 1 0.16099700 0.97003000 0.75722600 1.0 Mn Mn2 1 0.19493800 0.30939600 0.11617700 1.0 Mn Mn3 1 0.80506200 0.69060400 0.88382300 1.0 P P4 1 0.08875000 0.72398400 0.08607900 1.0 P P5 1 0.91125000 0.27601600 0.91392100 1.0 C C6 1 0.49044700 0.06931400 0.18965000 1.0 C C7 1 0.50955300 0.93068600 0.81035000 1.0 C C8 1 0.52042700 0.24240000 0.22748400 1.0 C C9 1 0.47957300 0.75760000 0.77251600 1.0 C C10 1 0.06918900 0.06889400 0.45488300 1.0 C C11 1 0.93081100 0.93110600 0.54511700 1.0 C C12 1 0.91522200 0.49897400 0.49888000 1.0 C C13 1 0.08477800 0.50102600 0.50112000 1.0 C C14 1 0.58555700 0.49928900 0.49866200 1.0 C C15 1 0.41444300 0.50071100 0.50133800 1.0 N N16 1 0.75102000 0.49586600 0.49810900 1.0 N N17 1 0.24898000 0.50413400 0.50189100 1.0 O O18 1 0.03921700 0.14291600 0.32496200 1.0 O O19 1 0.96078300 0.85708400 0.67503800 1.0 O O20 1 0.97964300 0.81618100 0.20711200 1.0 O O21 1 0.02035700 0.18381900 0.79288800 1.0 O O22 1 0.19453600 0.09799900 0.51300800 1.0 O O23 1 0.80546400 0.90200100 0.48699200 1.0 O O24 1 0.60825800 0.93698700 0.21840800 1.0 O O25 1 0.39174200 0.06301300 0.78159200 1.0 O O26 1 0.66520900 0.24154400 0.27998700 1.0 O O27 1 0.33479100 0.75845600 0.72001300 1.0 O O28 1 0.99781900 0.78995100 0.94013400 1.0 O O29 1 0.00218100 0.21004900 0.05986600 1.0 O O30 1 0.34453800 0.06657800 0.14325600 1.0 O O31 1 0.65546200 0.93342200 0.85674400 1.0 O O32 1 0.39404000 0.36694500 0.21568100 1.0 O O33 1 0.60596000 0.63305500 0.78431900 1.0 O O34 1 0.30651300 0.38676700 0.94545200 1.0 O O35 1 0.69348700 0.61323300 0.05454800 1.0 O O36 1 0.05363900 0.51961700 0.15176200 1.0 O O37 1 0.94636100 0.48038300 0.84823800 1.0 O O38 1 0.28379400 0.76824100 0.03611200 1.0 O O39 1 0.71620600 0.23175900 0.96388800 1.0