# generated using pymatgen data_Ba4Ga3GeI2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53320288 _cell_length_b 4.53320317 _cell_length_c 19.66082046 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000503 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Ga3GeI2 _chemical_formula_sum 'Ba4 Ga3 Ge1 I2' _cell_volume 349.89890772 _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 0.11935323 1.0 Ba Ba1 1 0.00000000 0.00000000 0.38254216 1.0 Ba Ba2 1 0.00000000 0.00000000 0.61801878 1.0 Ba Ba3 1 0.00000000 0.00000000 0.88140645 1.0 Ga Ga4 1 0.33333300 0.66666700 0.49487125 1.0 Ga Ga5 1 0.66666800 0.33333500 0.50482982 1.0 Ga Ga6 1 0.66666800 0.33333500 0.97932652 1.0 Ge Ge7 1 0.33333300 0.66666700 0.01967469 1.0 I I8 1 0.66666800 0.33333500 0.25139832 1.0 I I9 1 0.33333300 0.66666700 0.74857979 1.0