# generated using pymatgen data_BaMn28 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.65416288 _cell_length_b 7.65416288 _cell_length_c 7.65416288 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMn28 _chemical_formula_sum 'Ba1 Mn28' _cell_volume 345.20033516 _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 Ba Ba0 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn1 1 0.61720100 0.00000000 0.00000000 1.0 Mn Mn2 1 0.00000000 0.61720100 0.00000000 1.0 Mn Mn3 1 0.00000000 0.00000000 0.61720100 1.0 Mn Mn4 1 0.38279900 0.38279900 0.38279900 1.0 Mn Mn5 1 0.39161300 0.67847800 0.00000000 1.0 Mn Mn6 1 0.71313500 0.32152200 0.32152200 1.0 Mn Mn7 1 0.39161300 0.00000000 0.67847800 1.0 Mn Mn8 1 0.67847800 0.39161300 0.00000000 1.0 Mn Mn9 1 0.00000000 0.39161300 0.67847800 1.0 Mn Mn10 1 0.32152200 0.71313500 0.32152200 1.0 Mn Mn11 1 0.32152200 0.32152200 0.71313500 1.0 Mn Mn12 1 0.00000000 0.67847800 0.39161300 1.0 Mn Mn13 1 0.67847800 0.00000000 0.39161300 1.0 Mn Mn14 1 0.60838700 0.60838700 0.28686500 1.0 Mn Mn15 1 0.28686500 0.60838700 0.60838700 1.0 Mn Mn16 1 0.60838700 0.28686500 0.60838700 1.0 Mn Mn17 1 0.38721200 0.20224100 0.00000000 1.0 Mn Mn18 1 0.18497100 0.79775900 0.79775900 1.0 Mn Mn19 1 0.38721200 0.00000000 0.20224100 1.0 Mn Mn20 1 0.20224100 0.38721200 0.00000000 1.0 Mn Mn21 1 0.00000000 0.38721200 0.20224100 1.0 Mn Mn22 1 0.79775900 0.18497100 0.79775900 1.0 Mn Mn23 1 0.79775900 0.79775900 0.18497100 1.0 Mn Mn24 1 0.00000000 0.20224100 0.38721200 1.0 Mn Mn25 1 0.20224100 0.00000000 0.38721200 1.0 Mn Mn26 1 0.61278800 0.61278800 0.81502900 1.0 Mn Mn27 1 0.81502900 0.61278800 0.61278800 1.0 Mn Mn28 1 0.61278800 0.81502900 0.61278800 1.0