# generated using pymatgen data_Ca4Ge3O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.08387352 _cell_length_b 7.08387352 _cell_length_c 21.38945800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 96.71604717 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4Ge3O11 _chemical_formula_sum 'Ca16 Ge12 O44' _cell_volume 1065.98463956 _cell_formula_units_Z 4 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 Ca Ca0 1 0.28898000 0.04003300 0.75000000 1.0 Ca Ca1 1 0.04003300 0.28898000 0.25000000 1.0 Ca Ca2 1 0.79154900 0.14192500 0.75000000 1.0 Ca Ca3 1 0.14192500 0.79154900 0.25000000 1.0 Ca Ca4 1 0.69085900 0.69085900 0.00000000 1.0 Ca Ca5 1 0.69085900 0.69085900 0.50000000 1.0 Ca Ca6 1 0.28526100 0.28526100 0.00000000 1.0 Ca Ca7 1 0.28526100 0.28526100 0.50000000 1.0 Ca Ca8 1 0.55182000 0.39740600 0.85911100 1.0 Ca Ca9 1 0.39740600 0.55182000 0.14088900 1.0 Ca Ca10 1 0.55182000 0.39740600 0.64088900 1.0 Ca Ca11 1 0.39740600 0.55182000 0.35911100 1.0 Ca Ca12 1 0.74501100 0.95479800 0.14816100 1.0 Ca Ca13 1 0.95479800 0.74501100 0.85183900 1.0 Ca Ca14 1 0.74501100 0.95479800 0.35183900 1.0 Ca Ca15 1 0.95479800 0.74501100 0.64816100 1.0 Ge Ge16 1 0.21339300 0.78284500 0.99619900 1.0 Ge Ge17 1 0.78284500 0.21339300 0.00380100 1.0 Ge Ge18 1 0.21339300 0.78284500 0.50380100 1.0 Ge Ge19 1 0.78284500 0.21339300 0.49619900 1.0 Ge Ge20 1 0.27090400 0.02972800 0.12742200 1.0 Ge Ge21 1 0.02972800 0.27090400 0.87257800 1.0 Ge Ge22 1 0.27090400 0.02972800 0.37257800 1.0 Ge Ge23 1 0.02972800 0.27090400 0.62742200 1.0 Ge Ge24 1 0.46236500 0.87138400 0.87165700 1.0 Ge Ge25 1 0.87138400 0.46236500 0.12834300 1.0 Ge Ge26 1 0.46236500 0.87138400 0.62834300 1.0 Ge Ge27 1 0.87138400 0.46236500 0.37165700 1.0 O O28 1 0.35120900 0.61615300 0.02806100 1.0 O O29 1 0.61615300 0.35120900 0.97193900 1.0 O O30 1 0.35120900 0.61615300 0.47193900 1.0 O O31 1 0.61615300 0.35120900 0.52806100 1.0 O O32 1 0.27465100 0.76181900 0.82425000 1.0 O O33 1 0.76181900 0.27465100 0.17575000 1.0 O O34 1 0.27465100 0.76181900 0.67575000 1.0 O O35 1 0.76181900 0.27465100 0.32425000 1.0 O O36 1 0.16298800 0.95775900 0.05307000 1.0 O O37 1 0.95775900 0.16298800 0.94693000 1.0 O O38 1 0.16298800 0.95775900 0.44693000 1.0 O O39 1 0.95775900 0.16298800 0.55307000 1.0 O O40 1 0.40820000 0.87307000 0.16477900 1.0 O O41 1 0.87307000 0.40820000 0.83522100 1.0 O O42 1 0.40820000 0.87307000 0.33522100 1.0 O O43 1 0.87307000 0.40820000 0.66477900 1.0 O O44 1 0.83714100 0.81281600 0.75000000 1.0 O O45 1 0.81281600 0.83714100 0.25000000 1.0 O O46 1 0.70229800 0.00027700 0.04056600 1.0 O O47 1 0.00027700 0.70229800 0.95943400 1.0 O O48 1 0.70229800 0.00027700 0.45943400 1.0 O O49 1 0.00027700 0.70229800 0.54056600 1.0 O O50 1 0.46954100 0.36058600 0.75000000 1.0 O O51 1 0.36058600 0.46954100 0.25000000 1.0 O O52 1 0.07558400 0.04525700 0.17887100 1.0 O O53 1 0.04525700 0.07558400 0.82112900 1.0 O O54 1 0.07558400 0.04525700 0.32112900 1.0 O O55 1 0.04525700 0.07558400 0.67887100 1.0 O O56 1 0.35940600 0.94597000 0.94404600 1.0 O O57 1 0.94597000 0.35940600 0.05595400 1.0 O O58 1 0.35940600 0.94597000 0.55595400 1.0 O O59 1 0.94597000 0.35940600 0.44404600 1.0 O O60 1 0.54743000 0.07538500 0.82767700 1.0 O O61 1 0.07538500 0.54743000 0.17232300 1.0 O O62 1 0.54743000 0.07538500 0.67232300 1.0 O O63 1 0.07538500 0.54743000 0.32767700 1.0 O O64 1 0.63459100 0.72126000 0.88982000 1.0 O O65 1 0.72126000 0.63459100 0.11018000 1.0 O O66 1 0.63459100 0.72126000 0.61018000 1.0 O O67 1 0.72126000 0.63459100 0.38982000 1.0 O O68 1 0.38774100 0.25139500 0.10521200 1.0 O O69 1 0.25139500 0.38774100 0.89478800 1.0 O O70 1 0.38774100 0.25139500 0.39478800 1.0 O O71 1 0.25139500 0.38774100 0.60521200 1.0