# generated using pymatgen data_Ba5Ga6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.81874122 _cell_length_b 7.81884131 _cell_length_c 14.47651040 _cell_angle_alpha 90.00034899 _cell_angle_beta 89.99951739 _cell_angle_gamma 119.99923933 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba5Ga6 _chemical_formula_sum 'Ba10 Ga12' _cell_volume 766.43809932 _cell_formula_units_Z 2 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 0.68311813 0.66625958 0.24999952 1.0 Ba Ba1 1 0.98315583 0.31688950 0.25000058 1.0 Ba Ba2 1 0.33374959 0.01685762 0.24999972 1.0 Ba Ba3 1 0.98307754 0.66711716 0.75000175 1.0 Ba Ba4 1 0.33289808 0.31596607 0.74999985 1.0 Ba Ba5 1 0.68404379 0.01693234 0.75000067 1.0 Ba Ba6 1 0.00000917 0.99999668 -0.00005219 1.0 Ba Ba7 1 0.00000719 -0.00000047 0.50005110 1.0 Ba Ba8 1 0.66666806 0.33332563 -0.00000996 1.0 Ba Ba9 1 0.66666812 0.33333074 0.50000992 1.0 Ga Ga10 1 0.53164024 0.86525038 0.07645025 1.0 Ga Ga11 1 0.33361508 0.46834042 0.07644362 1.0 Ga Ga12 1 0.13473652 0.66637282 0.07645490 1.0 Ga Ga13 1 0.53163256 0.86525071 0.42354788 1.0 Ga Ga14 1 0.33361967 0.46835139 0.42355563 1.0 Ga Ga15 1 0.13472857 0.66637282 0.42355027 1.0 Ga Ga16 1 0.33303324 0.86497320 0.57682363 1.0 Ga Ga17 1 0.13502432 0.46805397 0.57682495 1.0 Ga Ga18 1 0.53196022 0.66697976 0.57682020 1.0 Ga Ga19 1 0.33303023 0.86496378 0.92317721 1.0 Ga Ga20 1 0.13502391 0.46804943 0.92317648 1.0 Ga Ga21 1 0.53195991 0.66696747 0.92317504 1.0