# generated using pymatgen data_Mn(BH4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.21805422 _cell_length_b 8.21805422 _cell_length_c 8.21805422 _cell_angle_alpha 124.96915726 _cell_angle_beta 124.96915726 _cell_angle_gamma 81.58912493 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn(BH4)2 _chemical_formula_sum 'Mn4 B8 H32' _cell_volume 358.72014084 _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 Mn Mn0 1 0.25000000 0.25000000 0.00000000 1.0 Mn Mn1 1 0.75000000 0.75000000 0.00000000 1.0 Mn Mn2 1 0.50000000 0.00000000 0.50000000 1.0 Mn Mn3 1 0.00000000 0.50000000 0.50000000 1.0 B B4 1 0.14738600 0.87500000 0.77238600 1.0 B B5 1 0.64738600 0.87500000 0.27238600 1.0 B B6 1 0.12500000 0.89738600 0.27238600 1.0 B B7 1 0.62500000 0.35261400 0.22761400 1.0 B B8 1 0.60261400 0.37500000 0.72761400 1.0 B B9 1 0.10261400 0.37500000 0.22761400 1.0 B B10 1 0.12500000 0.39738600 0.77238600 1.0 B B11 1 0.62500000 0.85261400 0.72761400 1.0 H H12 1 0.13298600 0.94809200 0.67025700 1.0 H H13 1 0.63298600 0.96272900 0.18489400 1.0 H H14 1 0.19809200 0.88298600 0.17025700 1.0 H H15 1 0.69809200 0.52783600 0.31510600 1.0 H H16 1 0.61701400 0.30190800 0.82974300 1.0 H H17 1 0.11701400 0.28727100 0.31510600 1.0 H H18 1 0.55190800 0.36701400 0.32974300 1.0 H H19 1 0.05190800 0.72216400 0.18489400 1.0 H H20 1 0.77783600 0.44809200 0.81510600 1.0 H H21 1 0.27783600 0.46272900 0.32974300 1.0 H H22 1 0.21272900 0.38298600 0.68489400 1.0 H H23 1 0.71272900 0.02783600 0.82974300 1.0 H H24 1 0.97216400 0.80190800 0.68489400 1.0 H H25 1 0.47216400 0.78727100 0.17025700 1.0 H H26 1 0.53727100 0.86701400 0.81510600 1.0 H H27 1 0.03727100 0.22216400 0.67025700 1.0 H H28 1 0.24804100 0.74842300 0.74156200 1.0 H H29 1 0.74804100 0.00647900 0.49961800 1.0 H H30 1 0.99842300 0.99804100 0.24156200 1.0 H H31 1 0.49842300 0.25686100 0.00038200 1.0 H H32 1 0.50195900 0.50157700 0.75843800 1.0 H H33 1 0.00195900 0.24352100 0.00038200 1.0 H H34 1 0.75157700 0.25195900 0.25843800 1.0 H H35 1 0.25157700 0.99313900 0.49961800 1.0 H H36 1 0.50686100 0.24842300 0.50038200 1.0 H H37 1 0.00686100 0.50647900 0.25843800 1.0 H H38 1 0.25647900 0.49804100 0.99961800 1.0 H H39 1 0.75647900 0.75686100 0.75843800 1.0 H H40 1 0.24313900 0.00157700 0.99961800 1.0 H H41 1 0.74313900 0.74352100 0.24156200 1.0 H H42 1 0.49352100 0.75195900 0.50038200 1.0 H H43 1 0.99352100 0.49313900 0.74156200 1.0