# generated using pymatgen data_Mg14SiNiO16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.50188919 _cell_length_b 8.59563425 _cell_length_c 4.26071666 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg14SiNiO16 _chemical_formula_sum 'Mg14 Si1 Ni1 O16' _cell_volume 311.36946631 _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 0.24366766 0.50000000 1.0 Mg Mg3 1 0.00000000 0.75633234 0.50000000 1.0 Mg Mg4 1 0.50000000 0.24822093 0.50000000 1.0 Mg Mg5 1 0.50000000 0.75177907 0.50000000 1.0 Mg Mg6 1 0.24641456 0.00000000 0.50000000 1.0 Mg Mg7 1 0.25057532 0.50000000 0.50000000 1.0 Mg Mg8 1 0.75358544 0.00000000 0.50000000 1.0 Mg Mg9 1 0.74942468 0.50000000 0.50000000 1.0 Mg Mg10 1 0.24916960 0.24493023 0.00000000 1.0 Mg Mg11 1 0.24916960 0.75506977 0.00000000 1.0 Mg Mg12 1 0.75083040 0.24493023 0.00000000 1.0 Mg Mg13 1 0.75083040 0.75506977 0.00000000 1.0 Si Si14 1 0.00000000 0.50000000 0.00000000 1.0 Ni Ni15 1 0.00000000 0.00000000 0.00000000 1.0 O O16 1 0.25759324 0.00000000 0.00000000 1.0 O O17 1 0.24281572 0.50000000 0.00000000 1.0 O O18 1 0.74240676 0.00000000 0.00000000 1.0 O O19 1 0.75718428 0.50000000 0.00000000 1.0 O O20 1 0.24811523 0.25072217 0.50000000 1.0 O O21 1 0.24811523 0.74927783 0.50000000 1.0 O O22 1 0.75188477 0.25072217 0.50000000 1.0 O O23 1 0.75188477 0.74927783 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 0.28896330 0.00000000 1.0 O O29 1 0.00000000 0.71103670 0.00000000 1.0 O O30 1 0.50000000 0.25335759 0.00000000 1.0 O O31 1 0.50000000 0.74664241 0.00000000 1.0