data_MgO_Example _symmetry_cell_setting cubic _symmetry_space_group_name_H-M 'F m -3 m' _symmetry_Int_Tables_number 225 _space_group_name_Hall '-F 4 2 3' _cell_length_a 4.21041 _cell_length_b 4.21041 _cell_length_c 4.21041 _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 74.6403 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Mg1 Mg 0.0000 0.0000 0.0000 O1 O 0.5000 0.0000 0.0000 #END