# generated using pymatgen data_Ca2Cu2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79241600 _cell_length_b 5.39072900 _cell_length_c 10.36489100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Cu2O5 _chemical_formula_sum 'Ca4 Cu4 O10' _cell_volume 211.89865945 _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 Ca Ca0 1 0.50000000 0.69226100 0.86951700 1.0 Ca Ca1 1 0.50000000 0.30773900 0.13048300 1.0 Ca Ca2 1 0.50000000 0.19226100 0.63048300 1.0 Ca Ca3 1 0.50000000 0.80773900 0.36951700 1.0 Cu Cu4 1 0.00000000 0.72067200 0.62004400 1.0 Cu Cu5 1 0.00000000 0.27932800 0.37995600 1.0 Cu Cu6 1 0.00000000 0.77932800 0.12004400 1.0 Cu Cu7 1 0.00000000 0.22067200 0.87995600 1.0 O O8 1 0.00000000 0.00000000 0.50000000 1.0 O O9 1 0.00000000 0.57788400 0.28921000 1.0 O O10 1 0.00000000 0.07788400 0.21079000 1.0 O O11 1 0.00000000 0.92211600 0.78921000 1.0 O O12 1 0.50000000 0.78652700 0.09959900 1.0 O O13 1 0.50000000 0.21347300 0.90040100 1.0 O O14 1 0.00000000 0.42211600 0.71079000 1.0 O O15 1 0.50000000 0.71347300 0.59959900 1.0 O O16 1 0.00000000 0.50000000 0.00000000 1.0 O O17 1 0.50000000 0.28652700 0.40040100 1.0