# generated using pymatgen data_CsMg30TiO32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68237081 _cell_length_b 8.67051353 _cell_length_c 8.67051353 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsMg30TiO32 _chemical_formula_sum 'Cs1 Mg30 Ti1 O32' _cell_volume 652.72157860 _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 Cs Cs0 1 0.00000000 0.50000000 0.50000000 1.0 Mg Mg1 1 0.00000000 0.00000000 0.50000000 1.0 Mg Mg2 1 0.00000000 0.50000000 0.00000000 1.0 Mg Mg3 1 0.50000000 0.00000000 0.00000000 1.0 Mg Mg4 1 0.50000000 0.00000000 0.50000000 1.0 Mg Mg5 1 0.50000000 0.50000000 0.00000000 1.0 Mg Mg6 1 0.50000000 0.50000000 0.50000000 1.0 Mg Mg7 1 0.00000000 0.24892627 0.24892627 1.0 Mg Mg8 1 0.00000000 0.24892627 0.75107373 1.0 Mg Mg9 1 0.00000000 0.75107373 0.24892627 1.0 Mg Mg10 1 0.00000000 0.75107373 0.75107373 1.0 Mg Mg11 1 0.50000000 0.25052725 0.25052725 1.0 Mg Mg12 1 0.50000000 0.25052725 0.74947275 1.0 Mg Mg13 1 0.50000000 0.74947275 0.25052725 1.0 Mg Mg14 1 0.50000000 0.74947275 0.74947275 1.0 Mg Mg15 1 0.25317638 0.00000000 0.25197337 1.0 Mg Mg16 1 0.25317638 0.00000000 0.74802663 1.0 Mg Mg17 1 0.25576395 0.50000000 0.24597524 1.0 Mg Mg18 1 0.25576395 0.50000000 0.75402476 1.0 Mg Mg19 1 0.74682362 0.00000000 0.25197337 1.0 Mg Mg20 1 0.74682362 0.00000000 0.74802663 1.0 Mg Mg21 1 0.74423605 0.50000000 0.24597524 1.0 Mg Mg22 1 0.74423605 0.50000000 0.75402476 1.0 Mg Mg23 1 0.25317638 0.25197337 0.00000000 1.0 Mg Mg24 1 0.25576395 0.24597524 0.50000000 1.0 Mg Mg25 1 0.25317638 0.74802663 0.00000000 1.0 Mg Mg26 1 0.25576395 0.75402476 0.50000000 1.0 Mg Mg27 1 0.74682362 0.25197337 0.00000000 1.0 Mg Mg28 1 0.74423605 0.24597524 0.50000000 1.0 Mg Mg29 1 0.74682362 0.74802663 0.00000000 1.0 Mg Mg30 1 0.74423605 0.75402476 0.50000000 1.0 Ti Ti31 1 0.00000000 0.00000000 0.00000000 1.0 O O32 1 0.24850361 0.00000000 0.00000000 1.0 O O33 1 0.25684850 0.00000000 0.50000000 1.0 O O34 1 0.25684850 0.50000000 0.00000000 1.0 O O35 1 0.28517156 0.50000000 0.50000000 1.0 O O36 1 0.75149639 0.00000000 0.00000000 1.0 O O37 1 0.74315150 0.00000000 0.50000000 1.0 O O38 1 0.74315150 0.50000000 0.00000000 1.0 O O39 1 0.71482844 0.50000000 0.50000000 1.0 O O40 1 0.24899779 0.24948647 0.24948647 1.0 O O41 1 0.24899779 0.24948647 0.75051353 1.0 O O42 1 0.24899779 0.75051353 0.24948647 1.0 O O43 1 0.24899779 0.75051353 0.75051353 1.0 O O44 1 0.75100221 0.24948647 0.24948647 1.0 O O45 1 0.75100221 0.24948647 0.75051353 1.0 O O46 1 0.75100221 0.75051353 0.24948647 1.0 O O47 1 0.75100221 0.75051353 0.75051353 1.0 O O48 1 0.00000000 0.00000000 0.23776197 1.0 O O49 1 0.00000000 0.00000000 0.76223803 1.0 O O50 1 0.00000000 0.50000000 0.21424264 1.0 O O51 1 0.00000000 0.50000000 0.78575736 1.0 O O52 1 0.50000000 0.00000000 0.24630293 1.0 O O53 1 0.50000000 0.00000000 0.75369707 1.0 O O54 1 0.50000000 0.50000000 0.24180752 1.0 O O55 1 0.50000000 0.50000000 0.75819248 1.0 O O56 1 0.00000000 0.23776197 0.00000000 1.0 O O57 1 0.00000000 0.21424264 0.50000000 1.0 O O58 1 0.00000000 0.76223803 0.00000000 1.0 O O59 1 0.00000000 0.78575736 0.50000000 1.0 O O60 1 0.50000000 0.24630293 0.00000000 1.0 O O61 1 0.50000000 0.24180752 0.50000000 1.0 O O62 1 0.50000000 0.75369707 0.00000000 1.0 O O63 1 0.50000000 0.75819248 0.50000000 1.0