# generated using pymatgen data_Mg14CrCuO16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.49543591 _cell_length_b 8.59536457 _cell_length_c 4.25420380 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg14CrCuO16 _chemical_formula_sum 'Mg14 Cr1 Cu1 O16' _cell_volume 310.64778475 _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 0.24498460 0.50000000 1.0 Mg Mg3 1 0.00000000 0.75501540 0.50000000 1.0 Mg Mg4 1 0.50000000 0.24895086 0.50000000 1.0 Mg Mg5 1 0.50000000 0.75104914 0.50000000 1.0 Mg Mg6 1 0.24772591 0.00000000 0.50000000 1.0 Mg Mg7 1 0.25070069 0.50000000 0.50000000 1.0 Mg Mg8 1 0.75227409 0.00000000 0.50000000 1.0 Mg Mg9 1 0.74929931 0.50000000 0.50000000 1.0 Mg Mg10 1 0.24865235 0.24608020 0.00000000 1.0 Mg Mg11 1 0.24865235 0.75391980 0.00000000 1.0 Mg Mg12 1 0.75134765 0.24608020 0.00000000 1.0 Mg Mg13 1 0.75134765 0.75391980 0.00000000 1.0 Cr Cr14 1 0.00000000 0.50000000 0.00000000 1.0 Cu Cu15 1 0.00000000 0.00000000 0.00000000 1.0 O O16 1 0.25786132 0.00000000 0.00000000 1.0 O O17 1 0.24701473 0.50000000 0.00000000 1.0 O O18 1 0.74213868 0.00000000 0.00000000 1.0 O O19 1 0.75298527 0.50000000 0.00000000 1.0 O O20 1 0.24894204 0.25051435 0.50000000 1.0 O O21 1 0.24894204 0.74948565 0.50000000 1.0 O O22 1 0.75105796 0.25051435 0.50000000 1.0 O O23 1 0.75105796 0.74948565 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 0.26530392 0.00000000 1.0 O O29 1 0.00000000 0.73469608 0.00000000 1.0 O O30 1 0.50000000 0.25325177 0.00000000 1.0 O O31 1 0.50000000 0.74674823 0.00000000 1.0