data_Bulk_CaO _cell_length_a 4.810501 _cell_length_b 4.810501 _cell_length_c 4.810501 _cell_angle_alpha 90.0000 _cell_angle_beta 90.0000 _cell_angle_gamma 90.0000 _cell_volume 111.3194 _symmetry_cell_setting 'cubic' _symmetry_Int_Tables_number 225 _symmetry_space_group_name_H-M 'F m -3 m' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca1 0.0000 0.0000 0.0000 1.0000 O O1 0.5000 0.5000 0.5000 1.0000