# generated using pymatgen data_BaMg14CuO16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.91192197 _cell_length_b 8.63397933 _cell_length_c 4.46890056 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg14CuO16 _chemical_formula_sum 'Ba1 Mg14 Cu1 O16' _cell_volume 343.86111806 _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 Ba Ba0 1 -0.00000000 0.50000000 -0.00000000 1.0 Mg Mg1 1 0.50000000 -0.00000000 -0.00000000 1.0 Mg Mg2 1 0.50000000 0.50000000 -0.00000000 1.0 Mg Mg3 1 -0.00000000 0.23212599 0.50000000 1.0 Mg Mg4 1 -0.00000000 0.76787401 0.50000000 1.0 Mg Mg5 1 0.50000000 0.24627151 0.50000000 1.0 Mg Mg6 1 0.50000000 0.75372849 0.50000000 1.0 Mg Mg7 1 0.25294100 -0.00000000 0.50000000 1.0 Mg Mg8 1 0.26830425 0.50000000 0.50000000 1.0 Mg Mg9 1 0.74705900 0.00000000 0.50000000 1.0 Mg Mg10 1 0.73169575 0.50000000 0.50000000 1.0 Mg Mg11 1 0.26152112 0.23951810 0.00000000 1.0 Mg Mg12 1 0.26152112 0.76048190 0.00000000 1.0 Mg Mg13 1 0.73847888 0.23951810 0.00000000 1.0 Mg Mg14 1 0.73847888 0.76048190 -0.00000000 1.0 Cu Cu15 1 -0.00000000 0.00000000 -0.00000000 1.0 O O16 1 0.27197650 -0.00000000 -0.00000000 1.0 O O17 1 0.27970175 0.50000000 0.00000000 1.0 O O18 1 0.72802350 0.00000000 0.00000000 1.0 O O19 1 0.72029825 0.50000000 -0.00000000 1.0 O O20 1 0.24872693 0.25025130 0.50000000 1.0 O O21 1 0.24872693 0.74974870 0.50000000 1.0 O O22 1 0.75127307 0.25025130 0.50000000 1.0 O O23 1 0.75127307 0.74974870 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 0.21699714 -0.00000000 1.0 O O29 1 -0.00000000 0.78300286 0.00000000 1.0 O O30 1 0.50000000 0.24741516 -0.00000000 1.0 O O31 1 0.50000000 0.75258484 0.00000000 1.0