# generated using pymatgen data_MnH12(C2N5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.68987900 _cell_length_b 6.14523400 _cell_length_c 6.25113102 _cell_angle_alpha 89.77777787 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnH12(C2N5)2 _chemical_formula_sum 'Mn2 H24 C8 N20' _cell_volume 487.47375708 _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 0.75297800 0.00081300 0.99683500 1.0 Mn Mn1 1 0.25297800 0.99918700 0.00316500 1.0 H H2 1 0.41176900 0.32686300 0.65648100 1.0 H H3 1 0.42209300 0.78883500 0.59548100 1.0 H H4 1 0.92209300 0.21116500 0.40451900 1.0 H H5 1 0.48077400 0.47661300 0.12511800 1.0 H H6 1 0.08089500 0.32586500 0.80754800 1.0 H H7 1 0.56290400 0.82661100 0.56295300 1.0 H H8 1 0.66683500 0.51880600 0.46812300 1.0 H H9 1 0.10604500 0.72226300 0.63847100 1.0 H H10 1 0.41444600 0.24858400 0.37747100 1.0 H H11 1 0.83939300 0.51859200 0.54058900 1.0 H H12 1 0.51346300 0.64842700 0.76699900 1.0 H H13 1 0.91176900 0.67313700 0.34351900 1.0 H H14 1 0.16683500 0.48119400 0.53187700 1.0 H H15 1 0.94248900 0.25843100 0.78206800 1.0 H H16 1 0.91444600 0.75141600 0.62252900 1.0 H H17 1 0.44248900 0.74156900 0.21793200 1.0 H H18 1 0.98077400 0.52338700 0.87488200 1.0 H H19 1 0.33939300 0.48140800 0.45941100 1.0 H H20 1 0.10117500 0.66942100 0.35340400 1.0 H H21 1 0.06290400 0.17338900 0.43704700 1.0 H H22 1 0.01346300 0.35157300 0.23300100 1.0 H H23 1 0.58089500 0.67413500 0.19245200 1.0 H H24 1 0.60117500 0.33057900 0.64659600 1.0 H H25 1 0.60604500 0.27773700 0.36152900 1.0 C C26 1 0.00180800 0.38728100 0.77062800 1.0 C C27 1 0.10194300 0.59743700 0.51389200 1.0 C C28 1 0.41018700 0.38436000 0.49041800 1.0 C C29 1 0.60194300 0.40256300 0.48610800 1.0 C C30 1 0.50180800 0.61271900 0.22937200 1.0 C C31 1 0.99990300 0.28687200 0.39365900 1.0 C C32 1 0.49990300 0.71312800 0.60634100 1.0 C C33 1 0.91018700 0.61564000 0.50958200 1.0 N N34 1 0.22951200 0.32225300 0.05227500 1.0 N N35 1 0.90999800 0.92113300 0.01857300 1.0 N N36 1 0.00355700 0.93501700 0.02598400 1.0 N N37 1 0.27120400 0.94191900 0.32378200 1.0 N N38 1 0.25342500 0.50311100 0.00079000 1.0 N N39 1 0.75242900 0.00312000 0.49773800 1.0 N N40 1 0.77691500 0.31686200 0.05348200 1.0 N N41 1 0.73425500 0.94799000 0.31824700 1.0 N N42 1 0.09723600 0.93035300 0.04093500 1.0 N N43 1 0.75342500 0.49688900 0.99921000 1.0 N N44 1 0.50355700 0.06498300 0.97401600 1.0 N N45 1 0.40999800 0.07886700 0.98142700 1.0 N N46 1 0.50296900 0.52796500 0.45341400 1.0 N N47 1 0.59723600 0.06964700 0.95906500 1.0 N N48 1 0.72951200 0.67774700 0.94772500 1.0 N N49 1 0.27691500 0.68313800 0.94651800 1.0 N N50 1 0.77120400 0.05808100 0.67621800 1.0 N N51 1 0.23425500 0.05201000 0.68175300 1.0 N N52 1 0.25242900 0.99688000 0.50226200 1.0 N N53 1 0.00296900 0.47203500 0.54658600 1.0