# generated using pymatgen data_MgMn28 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.90976999 _cell_length_b 7.90976952 _cell_length_c 7.90977041 _cell_angle_alpha 109.47121997 _cell_angle_beta 109.47121875 _cell_angle_gamma 109.47122374 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMn28 _chemical_formula_sum 'Mg1 Mn28' _cell_volume 380.95148240 _cell_formula_units_Z 1 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 0.00000000 0.00000000 0.00000000 1.0 Mn Mn1 1 0.63973243 1.00000000 0.00000000 1.0 Mn Mn2 1 1.00000000 0.63973243 1.00000000 1.0 Mn Mn3 1 0.00000000 0.00000000 0.63973243 1.0 Mn Mn4 1 0.36026757 0.36026757 0.36026757 1.0 Mn Mn5 1 0.40084282 0.68219340 1.00000000 1.0 Mn Mn6 1 0.71864942 0.31780660 0.31780660 1.0 Mn Mn7 1 0.40084282 0.00000000 0.68219340 1.0 Mn Mn8 1 0.68219340 0.40084282 1.00000000 1.0 Mn Mn9 1 1.00000000 0.40084282 0.68219340 1.0 Mn Mn10 1 0.31780660 0.71864942 0.31780660 1.0 Mn Mn11 1 0.31780660 0.31780660 0.71864942 1.0 Mn Mn12 1 1.00000000 0.68219340 0.40084282 1.0 Mn Mn13 1 0.68219340 0.00000000 0.40084282 1.0 Mn Mn14 1 0.59915718 0.59915718 0.28135058 1.0 Mn Mn15 1 0.28135058 0.59915718 0.59915718 1.0 Mn Mn16 1 0.59915718 0.28135058 0.59915718 1.0 Mn Mn17 1 0.37838982 0.19209538 0.00000000 1.0 Mn Mn18 1 0.18629545 0.80790462 0.80790462 1.0 Mn Mn19 1 0.37838982 1.00000000 0.19209538 1.0 Mn Mn20 1 0.19209538 0.37838982 0.00000000 1.0 Mn Mn21 1 1.00000000 0.37838982 0.19209538 1.0 Mn Mn22 1 0.80790462 0.18629545 0.80790462 1.0 Mn Mn23 1 0.80790462 0.80790462 0.18629545 1.0 Mn Mn24 1 0.00000000 0.19209538 0.37838982 1.0 Mn Mn25 1 0.19209538 0.00000000 0.37838982 1.0 Mn Mn26 1 0.62161018 0.62161018 0.81370455 1.0 Mn Mn27 1 0.81370455 0.62161018 0.62161018 1.0 Mn Mn28 1 0.62161018 0.81370455 0.62161018 1.0