# generated using pymatgen data_BaMg30BiO32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76459978 _cell_length_b 8.77334833 _cell_length_c 8.77334833 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg30BiO32 _chemical_formula_sum 'Ba1 Mg30 Bi1 O32' _cell_volume 674.62562707 _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 0.00000000 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 0.25023058 0.25023058 1.0 Mg Mg8 1 -0.00000000 0.25023058 0.74976942 1.0 Mg Mg9 1 -0.00000000 0.74976942 0.25023058 1.0 Mg Mg10 1 -0.00000000 0.74976942 0.74976942 1.0 Mg Mg11 1 0.50000000 0.24974705 0.24974705 1.0 Mg Mg12 1 0.50000000 0.24974705 0.75025295 1.0 Mg Mg13 1 0.50000000 0.75025295 0.24974705 1.0 Mg Mg14 1 0.50000000 0.75025295 0.75025295 1.0 Mg Mg15 1 0.25870557 -0.00000000 0.25675450 1.0 Mg Mg16 1 0.25870557 -0.00000000 0.74324550 1.0 Mg Mg17 1 0.25809141 0.50000000 0.24328093 1.0 Mg Mg18 1 0.25809141 0.50000000 0.75671907 1.0 Mg Mg19 1 0.74129443 -0.00000000 0.25675450 1.0 Mg Mg20 1 0.74129443 -0.00000000 0.74324550 1.0 Mg Mg21 1 0.74190859 0.50000000 0.24328093 1.0 Mg Mg22 1 0.74190859 0.50000000 0.75671907 1.0 Mg Mg23 1 0.25870557 0.25675450 0.00000000 1.0 Mg Mg24 1 0.25809141 0.24328093 0.50000000 1.0 Mg Mg25 1 0.25870557 0.74324550 0.00000000 1.0 Mg Mg26 1 0.25809141 0.75671907 0.50000000 1.0 Mg Mg27 1 0.74129443 0.25675450 0.00000000 1.0 Mg Mg28 1 0.74190859 0.24328093 0.50000000 1.0 Mg Mg29 1 0.74129443 0.74324550 0.00000000 1.0 Mg Mg30 1 0.74190859 0.75671907 0.50000000 1.0 Bi Bi31 1 -0.00000000 0.50000000 0.50000000 1.0 O O32 1 0.27882327 -0.00000000 0.00000000 1.0 O O33 1 0.25868431 -0.00000000 0.50000000 1.0 O O34 1 0.25868431 0.50000000 0.00000000 1.0 O O35 1 0.26838752 0.50000000 0.50000000 1.0 O O36 1 0.72117673 -0.00000000 0.00000000 1.0 O O37 1 0.74131569 -0.00000000 0.50000000 1.0 O O38 1 0.74131569 0.50000000 0.00000000 1.0 O O39 1 0.73161248 0.50000000 0.50000000 1.0 O O40 1 0.24897871 0.25043590 0.25043590 1.0 O O41 1 0.24897871 0.25043590 0.74956410 1.0 O O42 1 0.24897871 0.74956410 0.25043590 1.0 O O43 1 0.24897871 0.74956410 0.74956410 1.0 O O44 1 0.75102129 0.25043590 0.25043590 1.0 O O45 1 0.75102129 0.25043590 0.74956410 1.0 O O46 1 0.75102129 0.74956410 0.25043590 1.0 O O47 1 0.75102129 0.74956410 0.74956410 1.0 O O48 1 -0.00000000 -0.00000000 0.27719938 1.0 O O49 1 -0.00000000 -0.00000000 0.72280062 1.0 O O50 1 -0.00000000 0.50000000 0.23602166 1.0 O O51 1 -0.00000000 0.50000000 0.76397834 1.0 O O52 1 0.50000000 -0.00000000 0.25592057 1.0 O O53 1 0.50000000 -0.00000000 0.74407943 1.0 O O54 1 0.50000000 0.50000000 0.24871958 1.0 O O55 1 0.50000000 0.50000000 0.75128042 1.0 O O56 1 -0.00000000 0.27719938 0.00000000 1.0 O O57 1 -0.00000000 0.23602166 0.50000000 1.0 O O58 1 -0.00000000 0.72280062 0.00000000 1.0 O O59 1 -0.00000000 0.76397834 0.50000000 1.0 O O60 1 0.50000000 0.25592057 0.00000000 1.0 O O61 1 0.50000000 0.24871958 0.50000000 1.0 O O62 1 0.50000000 0.74407943 0.00000000 1.0 O O63 1 0.50000000 0.75128042 0.50000000 1.0