# generated using pymatgen data_Mg30TiNbO32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.58831658 _cell_length_b 8.56410020 _cell_length_c 8.56410020 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg30TiNbO32 _chemical_formula_sum 'Mg30 Ti1 Nb1 O32' _cell_volume 629.89987866 _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 0.00000000 0.00000000 0.50000000 1.0 Mg Mg1 1 0.00000000 0.50000000 0.00000000 1.0 Mg Mg2 1 0.50000000 0.00000000 0.00000000 1.0 Mg Mg3 1 0.50000000 0.00000000 0.50000000 1.0 Mg Mg4 1 0.50000000 0.50000000 0.00000000 1.0 Mg Mg5 1 0.50000000 0.50000000 0.50000000 1.0 Mg Mg6 1 0.00000000 0.24993683 0.24993683 1.0 Mg Mg7 1 0.00000000 0.24993683 0.75006317 1.0 Mg Mg8 1 0.00000000 0.75006317 0.24993683 1.0 Mg Mg9 1 0.00000000 0.75006317 0.75006317 1.0 Mg Mg10 1 0.50000000 0.24989663 0.24989663 1.0 Mg Mg11 1 0.50000000 0.24989663 0.75010337 1.0 Mg Mg12 1 0.50000000 0.75010337 0.24989663 1.0 Mg Mg13 1 0.50000000 0.75010337 0.75010337 1.0 Mg Mg14 1 0.25126150 0.00000000 0.24970216 1.0 Mg Mg15 1 0.25126150 0.00000000 0.75029784 1.0 Mg Mg16 1 0.25221740 0.50000000 0.24804752 1.0 Mg Mg17 1 0.25221740 0.50000000 0.75195248 1.0 Mg Mg18 1 0.74873850 0.00000000 0.24970216 1.0 Mg Mg19 1 0.74873850 0.00000000 0.75029784 1.0 Mg Mg20 1 0.74778260 0.50000000 0.24804752 1.0 Mg Mg21 1 0.74778260 0.50000000 0.75195248 1.0 Mg Mg22 1 0.25126150 0.24970216 0.00000000 1.0 Mg Mg23 1 0.25221740 0.24804752 0.50000000 1.0 Mg Mg24 1 0.25126150 0.75029784 0.00000000 1.0 Mg Mg25 1 0.25221740 0.75195248 0.50000000 1.0 Mg Mg26 1 0.74873850 0.24970216 0.00000000 1.0 Mg Mg27 1 0.74778260 0.24804752 0.50000000 1.0 Mg Mg28 1 0.74873850 0.75029784 0.00000000 1.0 Mg Mg29 1 0.74778260 0.75195248 0.50000000 1.0 Ti Ti30 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb31 1 0.00000000 0.50000000 0.50000000 1.0 O O32 1 0.25909970 0.00000000 0.00000000 1.0 O O33 1 0.25134074 0.00000000 0.50000000 1.0 O O34 1 0.25134074 0.50000000 0.00000000 1.0 O O35 1 0.26209221 0.50000000 0.50000000 1.0 O O36 1 0.74090030 0.00000000 0.00000000 1.0 O O37 1 0.74865926 0.00000000 0.50000000 1.0 O O38 1 0.74865926 0.50000000 0.00000000 1.0 O O39 1 0.73790779 0.50000000 0.50000000 1.0 O O40 1 0.24921203 0.25025401 0.25025401 1.0 O O41 1 0.24921203 0.25025401 0.74974599 1.0 O O42 1 0.24921203 0.74974599 0.25025401 1.0 O O43 1 0.24921203 0.74974599 0.74974599 1.0 O O44 1 0.75078797 0.25025401 0.25025401 1.0 O O45 1 0.75078797 0.25025401 0.74974599 1.0 O O46 1 0.75078797 0.74974599 0.25025401 1.0 O O47 1 0.75078797 0.74974599 0.74974599 1.0 O O48 1 0.00000000 0.00000000 0.25138092 1.0 O O49 1 0.00000000 0.00000000 0.74861908 1.0 O O50 1 0.00000000 0.50000000 0.23788625 1.0 O O51 1 0.00000000 0.50000000 0.76211375 1.0 O O52 1 0.50000000 0.00000000 0.25095812 1.0 O O53 1 0.50000000 0.00000000 0.74904188 1.0 O O54 1 0.50000000 0.50000000 0.24879743 1.0 O O55 1 0.50000000 0.50000000 0.75120257 1.0 O O56 1 0.00000000 0.25138092 0.00000000 1.0 O O57 1 0.00000000 0.23788625 0.50000000 1.0 O O58 1 0.00000000 0.74861908 0.00000000 1.0 O O59 1 0.00000000 0.76211375 0.50000000 1.0 O O60 1 0.50000000 0.25095812 0.00000000 1.0 O O61 1 0.50000000 0.24879743 0.50000000 1.0 O O62 1 0.50000000 0.74904188 0.00000000 1.0 O O63 1 0.50000000 0.75120257 0.50000000 1.0