# generated using pymatgen data_Ba5Ga5Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01221173 _cell_length_b 6.01221040 _cell_length_c 11.04894336 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000165 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba5Ga5Sn _chemical_formula_sum 'Ba5 Ga5 Sn1' _cell_volume 345.87550721 _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 0.66933994 1.0 Ba Ba1 1 0.66666700 0.33333300 0.79661621 1.0 Ba Ba2 1 0.66666700 0.33333300 0.20338379 1.0 Ba Ba3 1 0.33333300 0.66666700 -0.00000000 1.0 Ba Ba4 1 -0.00000000 -0.00000000 0.33066006 1.0 Ga Ga5 1 0.51398485 0.48601515 0.50000000 1.0 Ga Ga6 1 0.97202930 0.48601515 0.50000000 1.0 Ga Ga7 1 0.51398485 0.02797070 0.50000000 1.0 Ga Ga8 1 0.33333300 0.66666700 0.67123387 1.0 Ga Ga9 1 0.33333300 0.66666700 0.32876613 1.0 Sn Sn10 1 -0.00000000 -0.00000000 -0.00000000 1.0