# generated using pymatgen data_Ba21Ge2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.06080451 _cell_length_b 15.06080451 _cell_length_c 15.06080451 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba21Ge2O5 _chemical_formula_sum 'Ba42 Ge4 O10' _cell_volume 2415.62500477 _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 0.67077900 0.67077900 0.93127100 1.0 Ba Ba1 1 0.75113800 0.75113800 0.49886200 1.0 Ba Ba2 1 0.87500000 0.87500000 0.87500000 1.0 Ba Ba3 1 0.24886200 0.50113800 0.24886200 1.0 Ba Ba4 1 0.93127100 0.67077900 0.67077900 1.0 Ba Ba5 1 0.50113800 0.24886200 0.50113800 1.0 Ba Ba6 1 0.50000000 0.00000000 0.00000000 1.0 Ba Ba7 1 0.32922100 0.32922100 0.06872900 1.0 Ba Ba8 1 0.22717200 0.67077900 0.67077900 1.0 Ba Ba9 1 0.32922100 0.77282800 0.06872900 1.0 Ba Ba10 1 0.22717200 0.93127100 0.67077900 1.0 Ba Ba11 1 0.06872900 0.32922100 0.32922100 1.0 Ba Ba12 1 0.06872900 0.77282800 0.32922100 1.0 Ba Ba13 1 0.50113800 0.24886200 0.24886200 1.0 Ba Ba14 1 0.67077900 0.93127100 0.67077900 1.0 Ba Ba15 1 0.75113800 0.49886200 0.75113800 1.0 Ba Ba16 1 0.49886200 0.75113800 0.75113800 1.0 Ba Ba17 1 0.67077900 0.22717200 0.93127100 1.0 Ba Ba18 1 0.24886200 0.50113800 0.50113800 1.0 Ba Ba19 1 0.12500000 0.12500000 0.12500000 1.0 Ba Ba20 1 0.93127100 0.67077900 0.22717200 1.0 Ba Ba21 1 0.32922100 0.77282800 0.32922100 1.0 Ba Ba22 1 0.32922100 0.06872900 0.32922100 1.0 Ba Ba23 1 0.77282800 0.32922100 0.06872900 1.0 Ba Ba24 1 0.50113800 0.50113800 0.24886200 1.0 Ba Ba25 1 0.49886200 0.49886200 0.75113800 1.0 Ba Ba26 1 0.67077900 0.22717200 0.67077900 1.0 Ba Ba27 1 0.67077900 0.93127100 0.22717200 1.0 Ba Ba28 1 0.93127100 0.22717200 0.67077900 1.0 Ba Ba29 1 0.49886200 0.75113800 0.49886200 1.0 Ba Ba30 1 0.75113800 0.49886200 0.49886200 1.0 Ba Ba31 1 0.00000000 0.50000000 0.00000000 1.0 Ba Ba32 1 0.77282800 0.32922100 0.32922100 1.0 Ba Ba33 1 0.32922100 0.32922100 0.77282800 1.0 Ba Ba34 1 0.06872900 0.32922100 0.77282800 1.0 Ba Ba35 1 0.77282800 0.06872900 0.32922100 1.0 Ba Ba36 1 0.22717200 0.67077900 0.93127100 1.0 Ba Ba37 1 0.67077900 0.67077900 0.22717200 1.0 Ba Ba38 1 0.32922100 0.06872900 0.77282800 1.0 Ba Ba39 1 0.24886200 0.24886200 0.50113800 1.0 Ba Ba40 1 0.00000000 0.00000000 0.50000000 1.0 Ba Ba41 1 0.00000000 0.00000000 0.00000000 1.0 Ge Ge42 1 0.50000000 0.50000000 0.50000000 1.0 Ge Ge43 1 0.00000000 0.50000000 0.50000000 1.0 Ge Ge44 1 0.50000000 0.50000000 0.00000000 1.0 Ge Ge45 1 0.50000000 0.00000000 0.50000000 1.0 O O46 1 0.65067000 0.28311000 0.28311000 1.0 O O47 1 0.37500000 0.37500000 0.37500000 1.0 O O48 1 0.28311000 0.28311000 0.65067000 1.0 O O49 1 0.62500000 0.62500000 0.62500000 1.0 O O50 1 0.71689000 0.71689000 0.71689000 1.0 O O51 1 0.71689000 0.34933000 0.71689000 1.0 O O52 1 0.71689000 0.71689000 0.34933000 1.0 O O53 1 0.28311000 0.28311000 0.28311000 1.0 O O54 1 0.28311000 0.65067000 0.28311000 1.0 O O55 1 0.34933000 0.71689000 0.71689000 1.0