# generated using pymatgen data_Mg30TiBiO32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63605918 _cell_length_b 8.64756357 _cell_length_c 8.64756357 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg30TiBiO32 _chemical_formula_sum 'Mg30 Ti1 Bi1 O32' _cell_volume 645.80757730 _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 0.24245597 0.24245597 1.0 Mg Mg7 1 -0.00000000 0.24245597 0.75754403 1.0 Mg Mg8 1 -0.00000000 0.75754403 0.24245597 1.0 Mg Mg9 1 -0.00000000 0.75754403 0.75754403 1.0 Mg Mg10 1 0.50000000 0.24874156 0.24874156 1.0 Mg Mg11 1 0.50000000 0.24874156 0.75125844 1.0 Mg Mg12 1 0.50000000 0.75125844 0.24874156 1.0 Mg Mg13 1 0.50000000 0.75125844 0.75125844 1.0 Mg Mg14 1 0.25114871 -0.00000000 0.24945227 1.0 Mg Mg15 1 0.25114871 -0.00000000 0.75054773 1.0 Mg Mg16 1 0.25697943 0.50000000 0.24263055 1.0 Mg Mg17 1 0.25697943 0.50000000 0.75736945 1.0 Mg Mg18 1 0.74885129 -0.00000000 0.24945227 1.0 Mg Mg19 1 0.74885129 -0.00000000 0.75054773 1.0 Mg Mg20 1 0.74302057 0.50000000 0.24263055 1.0 Mg Mg21 1 0.74302057 0.50000000 0.75736945 1.0 Mg Mg22 1 0.25114871 0.24945227 -0.00000000 1.0 Mg Mg23 1 0.25697943 0.24263055 0.50000000 1.0 Mg Mg24 1 0.25114871 0.75054773 -0.00000000 1.0 Mg Mg25 1 0.25697943 0.75736945 0.50000000 1.0 Mg Mg26 1 0.74885129 0.24945227 -0.00000000 1.0 Mg Mg27 1 0.74302057 0.24263055 0.50000000 1.0 Mg Mg28 1 0.74885129 0.75054773 -0.00000000 1.0 Mg Mg29 1 0.74302057 0.75736945 0.50000000 1.0 Ti Ti30 1 -0.00000000 -0.00000000 -0.00000000 1.0 Bi Bi31 1 -0.00000000 0.50000000 0.50000000 1.0 O O32 1 0.25759203 -0.00000000 -0.00000000 1.0 O O33 1 0.25394311 -0.00000000 0.50000000 1.0 O O34 1 0.25394311 0.50000000 -0.00000000 1.0 O O35 1 0.26830435 0.50000000 0.50000000 1.0 O O36 1 0.74240797 -0.00000000 -0.00000000 1.0 O O37 1 0.74605689 -0.00000000 0.50000000 1.0 O O38 1 0.74605689 0.50000000 -0.00000000 1.0 O O39 1 0.73169565 0.50000000 0.50000000 1.0 O O40 1 0.24927719 0.25077163 0.25077163 1.0 O O41 1 0.24927719 0.25077163 0.74922837 1.0 O O42 1 0.24927719 0.74922837 0.25077163 1.0 O O43 1 0.24927719 0.74922837 0.74922837 1.0 O O44 1 0.75072281 0.25077163 0.25077163 1.0 O O45 1 0.75072281 0.25077163 0.74922837 1.0 O O46 1 0.75072281 0.74922837 0.25077163 1.0 O O47 1 0.75072281 0.74922837 0.74922837 1.0 O O48 1 -0.00000000 -0.00000000 0.25770833 1.0 O O49 1 -0.00000000 -0.00000000 0.74229167 1.0 O O50 1 -0.00000000 0.50000000 0.23301451 1.0 O O51 1 -0.00000000 0.50000000 0.76698549 1.0 O O52 1 0.50000000 -0.00000000 0.25050191 1.0 O O53 1 0.50000000 -0.00000000 0.74949809 1.0 O O54 1 0.50000000 0.50000000 0.24764620 1.0 O O55 1 0.50000000 0.50000000 0.75235380 1.0 O O56 1 -0.00000000 0.25770833 -0.00000000 1.0 O O57 1 -0.00000000 0.23301451 0.50000000 1.0 O O58 1 -0.00000000 0.74229167 -0.00000000 1.0 O O59 1 -0.00000000 0.76698549 0.50000000 1.0 O O60 1 0.50000000 0.25050191 -0.00000000 1.0 O O61 1 0.50000000 0.24764620 0.50000000 1.0 O O62 1 0.50000000 0.74949809 -0.00000000 1.0 O O63 1 0.50000000 0.75235380 0.50000000 1.0