# generated using pymatgen data_Mg14TiNiO16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.50585911 _cell_length_b 8.63951970 _cell_length_c 4.23455682 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg14TiNiO16 _chemical_formula_sum 'Mg14 Ti1 Ni1 O16' _cell_volume 311.18291790 _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 0.24061176 0.50000000 1.0 Mg Mg3 1 0.00000000 0.75938824 0.50000000 1.0 Mg Mg4 1 0.50000000 0.24796921 0.50000000 1.0 Mg Mg5 1 0.50000000 0.75203079 0.50000000 1.0 Mg Mg6 1 0.24674522 0.00000000 0.50000000 1.0 Mg Mg7 1 0.25250189 0.50000000 0.50000000 1.0 Mg Mg8 1 0.75325478 0.00000000 0.50000000 1.0 Mg Mg9 1 0.74749811 0.50000000 0.50000000 1.0 Mg Mg10 1 0.24962775 0.24329050 0.00000000 1.0 Mg Mg11 1 0.24962775 0.75670950 0.00000000 1.0 Mg Mg12 1 0.75037225 0.24329050 0.00000000 1.0 Mg Mg13 1 0.75037225 0.75670950 0.00000000 1.0 Ti Ti14 1 0.00000000 0.50000000 0.00000000 1.0 Ni Ni15 1 0.00000000 0.00000000 0.00000000 1.0 O O16 1 0.25995854 0.00000000 0.00000000 1.0 O O17 1 0.24909028 0.50000000 0.00000000 1.0 O O18 1 0.74004146 0.00000000 0.00000000 1.0 O O19 1 0.75090972 0.50000000 0.00000000 1.0 O O20 1 0.24852074 0.25081276 0.50000000 1.0 O O21 1 0.24852074 0.74918724 0.50000000 1.0 O O22 1 0.75147926 0.25081276 0.50000000 1.0 O O23 1 0.75147926 0.74918724 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 0.27131441 0.00000000 1.0 O O29 1 0.00000000 0.72868559 0.00000000 1.0 O O30 1 0.50000000 0.25322570 0.00000000 1.0 O O31 1 0.50000000 0.74677430 0.00000000 1.0