# generated using pymatgen data_BaMnSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41793700 _cell_length_b 6.82999600 _cell_length_c 13.23746600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMnSi2 _chemical_formula_sum 'Ba4 Mn4 Si8' _cell_volume 399.43381242 _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 Ba Ba0 1 0.75000000 0.76693400 0.09767800 1.0 Ba Ba1 1 0.25000000 0.73306600 0.59767800 1.0 Ba Ba2 1 0.25000000 0.23306600 0.90232200 1.0 Ba Ba3 1 0.75000000 0.26693400 0.40232200 1.0 Mn Mn4 1 0.25000000 0.77841200 0.34865800 1.0 Mn Mn5 1 0.75000000 0.22158800 0.65134200 1.0 Mn Mn6 1 0.25000000 0.27841200 0.15134200 1.0 Mn Mn7 1 0.75000000 0.72158800 0.84865800 1.0 Si Si8 1 0.25000000 0.02751100 0.24901700 1.0 Si Si9 1 0.75000000 0.77460000 0.37051400 1.0 Si Si10 1 0.25000000 0.22540000 0.62948600 1.0 Si Si11 1 0.75000000 0.47248900 0.74901700 1.0 Si Si12 1 0.25000000 0.72540000 0.87051400 1.0 Si Si13 1 0.25000000 0.52751100 0.25098300 1.0 Si Si14 1 0.75000000 0.97248900 0.75098300 1.0 Si Si15 1 0.75000000 0.27460000 0.12948600 1.0