# generated using pymatgen data_CaCu(GeO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.34291300 _cell_length_b 5.25975100 _cell_length_c 10.26017874 _cell_angle_alpha 76.29656686 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCu(GeO3)2 _chemical_formula_sum 'Ca4 Cu4 Ge8 O24' _cell_volume 489.84743053 _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 0.45356500 0.52972400 0.28480800 1.0 Ca Ca1 1 0.95356500 0.97027600 0.71519200 1.0 Ca Ca2 1 0.54643500 0.47027600 0.71519200 1.0 Ca Ca3 1 0.04643500 0.02972400 0.28480800 1.0 Cu Cu4 1 0.65924600 0.02857800 0.22519200 1.0 Cu Cu5 1 0.15924600 0.47142200 0.77480800 1.0 Cu Cu6 1 0.34075400 0.97142200 0.77480800 1.0 Cu Cu7 1 0.84075400 0.52857800 0.22519200 1.0 Ge Ge8 1 0.34964300 0.15480400 0.05001500 1.0 Ge Ge9 1 0.84964300 0.34519600 0.94998500 1.0 Ge Ge10 1 0.65035700 0.84519600 0.94998500 1.0 Ge Ge11 1 0.15035700 0.65480400 0.05001500 1.0 Ge Ge12 1 0.35136800 0.91760000 0.49391100 1.0 Ge Ge13 1 0.85136800 0.58240000 0.50608900 1.0 Ge Ge14 1 0.64863200 0.08240000 0.50608900 1.0 Ge Ge15 1 0.14863200 0.41760000 0.49391100 1.0 O O16 1 0.25119800 0.69227300 0.40125500 1.0 O O17 1 0.75119800 0.80772700 0.59874500 1.0 O O18 1 0.74880200 0.30772700 0.59874500 1.0 O O19 1 0.24880200 0.19227300 0.40125500 1.0 O O20 1 0.30736500 0.80931500 0.10304800 1.0 O O21 1 0.80736500 0.69068500 0.89695300 1.0 O O22 1 0.69263500 0.19068500 0.89695300 1.0 O O23 1 0.19263500 0.30931500 0.10304800 1.0 O O24 1 0.97819600 0.32487100 0.43547800 1.0 O O25 1 0.47819600 0.17512900 0.56452200 1.0 O O26 1 0.02180400 0.67512900 0.56452200 1.0 O O27 1 0.52180400 0.82487100 0.43547800 1.0 O O28 1 0.01460600 0.72942500 0.15003500 1.0 O O29 1 0.51460600 0.77057500 0.84996500 1.0 O O30 1 0.98539400 0.27057500 0.84996500 1.0 O O31 1 0.48539400 0.22942500 0.15003500 1.0 O O32 1 0.36581000 0.23934400 0.87422300 1.0 O O33 1 0.86581000 0.26065600 0.12577700 1.0 O O34 1 0.63419000 0.76065600 0.12577700 1.0 O O35 1 0.13419000 0.73934400 0.87422300 1.0 O O36 1 0.32071000 0.72228300 0.66168500 1.0 O O37 1 0.82071000 0.77771700 0.33831500 1.0 O O38 1 0.67929000 0.27771700 0.33831500 1.0 O O39 1 0.17929000 0.22228300 0.66168500 1.0