data_OPT_STEP_11 _cell_length_a 2.74720746 _cell_length_b 2.74720746 _cell_length_c 50.00000000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_cell_setting 'triclinic' _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Mg MG1 -0.50000000 -0.50000000 0.03916217 O O2 -0.00000000 -0.00000000 0.04008203 Mg MG3 -0.00000000 -0.00000000 0.00000000 O O4 -0.50000000 -0.50000000 0.00000000 Mg MG5 -0.50000000 -0.50000000 -0.03916217 O O6 -0.00000000 0.00000000 -0.04008203