# generated using pymatgen data_BaMg30TiO32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.67337504 _cell_length_b 8.67337504 _cell_length_c 8.67971138 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg30TiO32 _chemical_formula_sum 'Ba1 Mg30 Ti1 O32' _cell_volume 652.95242005 _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 Ba Ba0 1 0.00000000 -0.00000000 0.50000000 1.0 Mg Mg1 1 0.00000000 0.50000000 0.00000000 1.0 Mg Mg2 1 0.00000000 0.50000000 0.50000000 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 0.25991476 0.24443480 1.0 Mg Mg8 1 0.00000000 0.25991476 0.75556520 1.0 Mg Mg9 1 0.00000000 0.74008524 0.24443480 1.0 Mg Mg10 1 0.00000000 0.74008524 0.75556520 1.0 Mg Mg11 1 0.50000000 0.25145714 0.24904214 1.0 Mg Mg12 1 0.50000000 0.25145714 0.75095786 1.0 Mg Mg13 1 0.50000000 0.74854286 0.24904214 1.0 Mg Mg14 1 0.50000000 0.74854286 0.75095786 1.0 Mg Mg15 1 0.25991476 -0.00000000 0.24443480 1.0 Mg Mg16 1 0.25991476 -0.00000000 0.75556520 1.0 Mg Mg17 1 0.25145714 0.50000000 0.24904214 1.0 Mg Mg18 1 0.25145714 0.50000000 0.75095786 1.0 Mg Mg19 1 0.74008524 -0.00000000 0.24443480 1.0 Mg Mg20 1 0.74008524 -0.00000000 0.75556520 1.0 Mg Mg21 1 0.74854286 0.50000000 0.24904214 1.0 Mg Mg22 1 0.74854286 0.50000000 0.75095786 1.0 Mg Mg23 1 0.25116327 0.25116327 0.00000000 1.0 Mg Mg24 1 0.25777450 0.25777450 0.50000000 1.0 Mg Mg25 1 0.25116327 0.74883673 0.00000000 1.0 Mg Mg26 1 0.25777450 0.74222550 0.50000000 1.0 Mg Mg27 1 0.74883673 0.25116327 -0.00000000 1.0 Mg Mg28 1 0.74222550 0.25777450 0.50000000 1.0 Mg Mg29 1 0.74883673 0.74883673 0.00000000 1.0 Mg Mg30 1 0.74222550 0.74222550 0.50000000 1.0 Ti Ti31 1 0.00000000 -0.00000000 0.00000000 1.0 O O32 1 0.25722196 -0.00000000 0.00000000 1.0 O O33 1 0.27937683 -0.00000000 0.50000000 1.0 O O34 1 0.25162023 0.50000000 -0.00000000 1.0 O O35 1 0.25590015 0.50000000 0.50000000 1.0 O O36 1 0.74277804 -0.00000000 -0.00000000 1.0 O O37 1 0.72062317 -0.00000000 0.50000000 1.0 O O38 1 0.74837977 0.50000000 0.00000000 1.0 O O39 1 0.74409985 0.50000000 0.50000000 1.0 O O40 1 0.24915309 0.24915309 0.25018357 1.0 O O41 1 0.24915309 0.24915309 0.74981643 1.0 O O42 1 0.24915309 0.75084691 0.25018357 1.0 O O43 1 0.24915309 0.75084691 0.74981643 1.0 O O44 1 0.75084691 0.24915309 0.25018357 1.0 O O45 1 0.75084691 0.24915309 0.74981643 1.0 O O46 1 0.75084691 0.75084691 0.25018357 1.0 O O47 1 0.75084691 0.75084691 0.74981643 1.0 O O48 1 0.00000000 -0.00000000 0.22394155 1.0 O O49 1 0.00000000 -0.00000000 0.77605845 1.0 O O50 1 0.00000000 0.50000000 0.24386598 1.0 O O51 1 0.00000000 0.50000000 0.75613402 1.0 O O52 1 0.50000000 -0.00000000 0.24386598 1.0 O O53 1 0.50000000 -0.00000000 0.75613402 1.0 O O54 1 0.50000000 0.50000000 0.24821449 1.0 O O55 1 0.50000000 0.50000000 0.75178551 1.0 O O56 1 0.00000000 0.25722196 -0.00000000 1.0 O O57 1 0.00000000 0.27937683 0.50000000 1.0 O O58 1 0.00000000 0.74277804 0.00000000 1.0 O O59 1 0.00000000 0.72062317 0.50000000 1.0 O O60 1 0.50000000 0.25162023 0.00000000 1.0 O O61 1 0.50000000 0.25590015 0.50000000 1.0 O O62 1 0.50000000 0.74837977 -0.00000000 1.0 O O63 1 0.50000000 0.74409985 0.50000000 1.0