# generated using pymatgen data_Mg14TiCoO16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.56609392 _cell_length_b 8.54974856 _cell_length_c 4.26023137 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg14TiCoO16 _chemical_formula_sum 'Mg14 Ti1 Co1 O16' _cell_volume 312.01060847 _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 0.24010740 0.50000000 1.0 Mg Mg3 1 0.00000000 0.75989260 0.50000000 1.0 Mg Mg4 1 0.50000000 0.24779997 0.50000000 1.0 Mg Mg5 1 0.50000000 0.75220003 0.50000000 1.0 Mg Mg6 1 0.24619322 0.00000000 0.50000000 1.0 Mg Mg7 1 0.25264506 0.50000000 0.50000000 1.0 Mg Mg8 1 0.75380678 0.00000000 0.50000000 1.0 Mg Mg9 1 0.74735494 0.50000000 0.50000000 1.0 Mg Mg10 1 0.25040261 0.24304433 0.00000000 1.0 Mg Mg11 1 0.25040261 0.75695567 0.00000000 1.0 Mg Mg12 1 0.74959739 0.24304433 0.00000000 1.0 Mg Mg13 1 0.74959739 0.75695567 0.00000000 1.0 Ti Ti14 1 0.00000000 0.50000000 0.00000000 1.0 Co Co15 1 0.00000000 0.00000000 0.00000000 1.0 O O16 1 0.26244695 0.00000000 0.00000000 1.0 O O17 1 0.24788791 0.50000000 0.00000000 1.0 O O18 1 0.73755305 0.00000000 0.00000000 1.0 O O19 1 0.75211209 0.50000000 0.00000000 1.0 O O20 1 0.24850672 0.25125289 0.50000000 1.0 O O21 1 0.24850672 0.74874711 0.50000000 1.0 O O22 1 0.75149328 0.25125289 0.50000000 1.0 O O23 1 0.75149328 0.74874711 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 0.26608766 0.00000000 1.0 O O29 1 0.00000000 0.73391234 0.00000000 1.0 O O30 1 0.50000000 0.25392471 0.00000000 1.0 O O31 1 0.50000000 0.74607529 0.00000000 1.0