# generated using pymatgen data_Mg5Mn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86352600 _cell_length_b 9.86821500 _cell_length_c 23.33488000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Mn4 _chemical_formula_sum 'Mg20 Mn16' _cell_volume 659.39447748 _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 Mg Mg0 1 0.50000000 0.39396200 0.36845300 1.0 Mg Mg1 1 0.50000000 0.60603800 0.63154700 1.0 Mg Mg2 1 0.50000000 0.10603800 0.86845300 1.0 Mg Mg3 1 0.50000000 0.89396200 0.13154700 1.0 Mg Mg4 1 0.00000000 0.37525300 0.24594300 1.0 Mg Mg5 1 0.00000000 0.62474700 0.75405700 1.0 Mg Mg6 1 0.00000000 0.12474700 0.74594300 1.0 Mg Mg7 1 0.00000000 0.87525300 0.25405700 1.0 Mg Mg8 1 0.00000000 0.11502200 0.40046300 1.0 Mg Mg9 1 0.00000000 0.88497800 0.59953700 1.0 Mg Mg10 1 0.00000000 0.38497800 0.90046300 1.0 Mg Mg11 1 0.00000000 0.61502200 0.09953700 1.0 Mg Mg12 1 0.50000000 0.23181400 0.00138900 1.0 Mg Mg13 1 0.50000000 0.76818600 0.99861100 1.0 Mg Mg14 1 0.50000000 0.26818600 0.50138900 1.0 Mg Mg15 1 0.50000000 0.73181400 0.49861100 1.0 Mg Mg16 1 0.50000000 0.34317000 0.12727400 1.0 Mg Mg17 1 0.50000000 0.65683000 0.87272600 1.0 Mg Mg18 1 0.50000000 0.15683000 0.62727400 1.0 Mg Mg19 1 0.50000000 0.84317000 0.37272600 1.0 Mn Mn20 1 0.50000000 0.00000000 0.50000000 1.0 Mn Mn21 1 0.50000000 0.50000000 0.00000000 1.0 Mn Mn22 1 0.00000000 0.12018900 0.19667700 1.0 Mn Mn23 1 0.00000000 0.87981100 0.80332300 1.0 Mn Mn24 1 0.00000000 0.37981100 0.69667700 1.0 Mn Mn25 1 0.00000000 0.62018900 0.30332300 1.0 Mn Mn26 1 0.00000000 0.38387700 0.58940200 1.0 Mn Mn27 1 0.00000000 0.61612300 0.41059800 1.0 Mn Mn28 1 0.00000000 0.11612300 0.08940200 1.0 Mn Mn29 1 0.00000000 0.88387700 0.91059800 1.0 Mn Mn30 1 0.50000000 0.12735200 0.29198000 1.0 Mn Mn31 1 0.50000000 0.87264800 0.70802000 1.0 Mn Mn32 1 0.50000000 0.37264800 0.79198000 1.0 Mn Mn33 1 0.50000000 0.62735200 0.20802000 1.0 Mn Mn34 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn35 1 0.00000000 0.50000000 0.50000000 1.0