# generated using pymatgen data_BaAl7(FeSi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.75910599 _cell_length_b 7.75910600 _cell_length_c 3.97041298 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.91269387 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAl7(FeSi)2 _chemical_formula_sum 'Ba1 Al7 Fe2 Si2' _cell_volume 205.07918911 _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 Al Al1 1 0.50000000 0.50000000 0.00000000 1.0 Al Al2 1 0.21378924 0.43321927 0.50000000 1.0 Al Al3 1 0.78802807 0.21197193 0.50000000 1.0 Al Al4 1 0.43321927 0.21378924 0.50000000 1.0 Al Al5 1 0.56678073 0.78621076 0.50000000 1.0 Al Al6 1 0.21197193 0.78802807 0.50000000 1.0 Al Al7 1 0.78621076 0.56678073 0.50000000 1.0 Fe Fe8 1 0.67257855 0.32742145 0.00000000 1.0 Fe Fe9 1 0.32742145 0.67257855 0.00000000 1.0 Si Si10 1 0.50000000 0.00000000 0.00000000 1.0 Si Si11 1 0.00000000 0.50000000 0.00000000 1.0