# generated using pymatgen data_Mg14CuCO16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.51841292 _cell_length_b 8.47663759 _cell_length_c 4.23250285 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg14CuCO16 _chemical_formula_sum 'Mg14 Cu1 C1 O16' _cell_volume 305.61844601 _cell_formula_units_Z 1 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 Mg Mg0 1 0.50000000 -0.00000000 0.00000000 1.0 Mg Mg1 1 0.50000000 0.50000000 0.00000000 1.0 Mg Mg2 1 0.00000000 0.25230576 0.50000000 1.0 Mg Mg3 1 0.00000000 0.74769424 0.50000000 1.0 Mg Mg4 1 0.50000000 0.25025075 0.50000000 1.0 Mg Mg5 1 0.50000000 0.74974925 0.50000000 1.0 Mg Mg6 1 0.24798810 -0.00000000 0.50000000 1.0 Mg Mg7 1 0.24604287 0.50000000 0.50000000 1.0 Mg Mg8 1 0.75201190 -0.00000000 0.50000000 1.0 Mg Mg9 1 0.75395713 0.50000000 0.50000000 1.0 Mg Mg10 1 0.24710449 0.25160291 0.00000000 1.0 Mg Mg11 1 0.24710449 0.74839709 0.00000000 1.0 Mg Mg12 1 0.75289551 0.25160291 -0.00000000 1.0 Mg Mg13 1 0.75289551 0.74839709 -0.00000000 1.0 Cu Cu14 1 0.00000000 -0.00000000 0.00000000 1.0 C C15 1 0.00000000 0.50000000 0.00000000 1.0 O O16 1 0.25185462 -0.00000000 0.00000000 1.0 O O17 1 0.25089244 0.50000000 -0.00000000 1.0 O O18 1 0.74814538 -0.00000000 -0.00000000 1.0 O O19 1 0.74910756 0.50000000 0.00000000 1.0 O O20 1 0.24787178 0.25049576 0.50000000 1.0 O O21 1 0.24787178 0.74950424 0.50000000 1.0 O O22 1 0.75212822 0.25049576 0.50000000 1.0 O O23 1 0.75212822 0.74950424 0.50000000 1.0 O O24 1 0.00000000 -0.00000000 0.50000000 1.0 O O25 1 0.00000000 0.50000000 0.50000000 1.0 O O26 1 0.50000000 -0.00000000 0.50000000 1.0 O O27 1 0.50000000 0.50000000 0.50000000 1.0 O O28 1 0.00000000 0.25437823 0.00000000 1.0 O O29 1 0.00000000 0.74562177 -0.00000000 1.0 O O30 1 0.50000000 0.25057492 -0.00000000 1.0 O O31 1 0.50000000 0.74942508 -0.00000000 1.0