# generated using pymatgen data_Al24Zn3O40 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69424555 _cell_length_b 5.69424555 _cell_length_c 23.28801217 _cell_angle_alpha 82.94895954 _cell_angle_beta 82.94895954 _cell_angle_gamma 60.34456558 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al24Zn3O40 _chemical_formula_sum 'Al24 Zn3 O40' _cell_volume 649.54638706 _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 Al Al0 1 0.50040300 0.50040300 0.99933000 1.0 Al Al1 1 0.70209700 0.19924900 0.89778400 1.0 Al Al2 1 0.19924900 0.70209700 0.89778400 1.0 Al Al3 1 0.96907000 0.96907000 0.57286700 1.0 Al Al4 1 0.70228000 0.70228000 0.89760700 1.0 Al Al5 1 0.09670100 0.60565100 0.70215800 1.0 Al Al6 1 0.22423700 0.22423700 0.82971900 1.0 Al Al7 1 0.60565100 0.09670100 0.70215800 1.0 Al Al8 1 0.31128100 0.31128100 0.59605800 1.0 Al Al9 1 0.09783300 0.09783300 0.70151600 1.0 Al Al10 1 0.50146500 0.98987000 0.50146900 1.0 Al Al11 1 0.39769500 0.90334900 0.29574100 1.0 Al Al12 1 0.98987000 0.50146500 0.50146900 1.0 Al Al13 1 0.69558800 0.69558800 0.39895600 1.0 Al Al14 1 0.63008900 0.63008900 0.62558700 1.0 Al Al15 1 0.77522900 0.77522900 0.17210200 1.0 Al Al16 1 0.90334900 0.39769500 0.29574100 1.0 Al Al17 1 0.03050400 0.03050400 0.42374900 1.0 Al Al18 1 0.90259100 0.90259100 0.29584700 1.0 Al Al19 1 0.29251500 0.80829600 0.10535600 1.0 Al Al20 1 0.42334400 0.42334400 0.22974900 1.0 Al Al21 1 0.80829600 0.29251500 0.10535600 1.0 Al Al22 1 0.29269300 0.29269300 0.10562900 1.0 Al Al23 1 0.82463900 0.82463900 0.02721900 1.0 Zn Zn24 1 0.17471200 0.17471200 0.97415400 1.0 Zn Zn25 1 0.57471400 0.57471400 0.77479700 1.0 Zn Zn26 1 0.37357700 0.37357700 0.37265300 1.0 O O27 1 0.37154200 0.81019200 0.94832800 1.0 O O28 1 0.54774200 0.54774200 0.85734700 1.0 O O29 1 0.81019200 0.37154200 0.94832800 1.0 O O30 1 0.37070900 0.37070900 0.94832500 1.0 O O31 1 0.76501300 0.23353000 0.74010400 1.0 O O32 1 0.04641200 0.04641200 0.85804000 1.0 O O33 1 0.85117000 0.85117000 0.94773100 1.0 O O34 1 0.95034500 0.95034500 0.65124100 1.0 O O35 1 0.23353000 0.76501300 0.74010400 1.0 O O36 1 0.55053700 0.04641700 0.85786100 1.0 O O37 1 0.04641700 0.55053700 0.85786100 1.0 O O38 1 0.76371500 0.76371500 0.74024200 1.0 O O39 1 0.13518300 0.63085600 0.55147100 1.0 O O40 1 0.44133300 0.44133300 0.65019700 1.0 O O41 1 0.32834200 0.32834200 0.45779200 1.0 O O42 1 0.97882900 0.43601800 0.65148400 1.0 O O43 1 0.25301500 0.25301500 0.74667300 1.0 O O44 1 0.63085600 0.13518300 0.55147100 1.0 O O45 1 0.43601800 0.97882900 0.65148400 1.0 O O46 1 0.15508500 0.15508500 0.54993900 1.0 O O47 1 0.57465500 0.00713100 0.34506800 1.0 O O48 1 0.84298000 0.84298000 0.45149200 1.0 O O49 1 0.74873300 0.74873300 0.25040700 1.0 O O50 1 0.66029200 0.66029200 0.54858500 1.0 O O51 1 0.00713100 0.57465500 0.34506800 1.0 O O52 1 0.36955600 0.86698200 0.44710900 1.0 O O53 1 0.57025700 0.57025700 0.34572200 1.0 O O54 1 0.86698200 0.36955600 0.44710900 1.0 O O55 1 0.95098100 0.45298300 0.14412900 1.0 O O56 1 0.24597100 0.24597100 0.25651400 1.0 O O57 1 0.45298300 0.95098100 0.14412900 1.0 O O58 1 0.05085400 0.05085400 0.34471400 1.0 O O59 1 0.75052500 0.24612200 0.25637700 1.0 O O60 1 0.14629400 0.14629400 0.06096000 1.0 O O61 1 0.95099000 0.95099000 0.14403800 1.0 O O62 1 0.24612200 0.75052500 0.25637700 1.0 O O63 1 0.63719600 0.63719600 0.05196500 1.0 O O64 1 0.45052700 0.45052700 0.14777100 1.0 O O65 1 0.17418400 0.63713100 0.05194600 1.0 O O66 1 0.63713100 0.17418400 0.05194600 1.0