# generated using pymatgen data_Ba2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42514614 _cell_length_b 8.52922761 _cell_length_c 10.16371008 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Si _chemical_formula_sum 'Ba8 Si4' _cell_volume 470.29830541 _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 0.47911895 0.32929468 1.0 Ba Ba1 1 0.25000000 0.52088105 0.67070532 1.0 Ba Ba2 1 0.75000000 0.97911895 0.17070532 1.0 Ba Ba3 1 0.25000000 0.02088105 0.82929468 1.0 Ba Ba4 1 0.25000000 0.14566890 0.41745112 1.0 Ba Ba5 1 0.75000000 0.85433110 0.58254888 1.0 Ba Ba6 1 0.25000000 0.64566890 0.08254888 1.0 Ba Ba7 1 0.75000000 0.35433110 0.91745112 1.0 Si Si8 1 0.25000000 0.74912053 0.39910882 1.0 Si Si9 1 0.75000000 0.25087947 0.60089118 1.0 Si Si10 1 0.25000000 0.24912053 0.10089218 1.0 Si Si11 1 0.75000000 0.75087947 0.89910882 1.0