# generated using pymatgen data_Al2CoO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78186168 _cell_length_b 5.78186168 _cell_length_c 28.37466000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999630 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2CoO4 _chemical_formula_sum 'Al24 Co12 O48' _cell_volume 821.47946061 _cell_formula_units_Z 12 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 0.00000000 0.00000000 0.95585500 1.0 Al Al1 1 0.50349400 0.49650600 0.89584800 1.0 Al Al2 1 0.99301100 0.49650600 0.89584800 1.0 Al Al3 1 0.33333300 0.66666700 0.79084700 1.0 Al Al4 1 0.50349400 0.00698900 0.89584800 1.0 Al Al5 1 0.83508400 0.16491600 0.72911000 1.0 Al Al6 1 0.32983300 0.16491600 0.72911000 1.0 Al Al7 1 0.83508400 0.67016700 0.72911000 1.0 Al Al8 1 0.16689200 0.83310800 0.56250300 1.0 Al Al9 1 0.00000000 0.00000000 0.64542900 1.0 Al Al10 1 0.66621500 0.83310800 0.56250300 1.0 Al Al11 1 0.16689200 0.33378500 0.56250300 1.0 Al Al12 1 0.50003600 0.49996400 0.39565900 1.0 Al Al13 1 0.33333300 0.66666700 0.47906400 1.0 Al Al14 1 0.99992800 0.49996400 0.39565900 1.0 Al Al15 1 0.50003600 0.00007200 0.39565900 1.0 Al Al16 1 0.83328600 0.16671400 0.22876400 1.0 Al Al17 1 0.66666700 0.33333300 0.31221400 1.0 Al Al18 1 0.33342800 0.16671400 0.22876400 1.0 Al Al19 1 0.83328600 0.66657200 0.22876400 1.0 Al Al20 1 0.16873000 0.83127000 0.06285400 1.0 Al Al21 1 0.66254100 0.83127000 0.06285400 1.0 Al Al22 1 0.00000000 0.00000000 0.14564900 1.0 Al Al23 1 0.16873000 0.33745900 0.06285400 1.0 Co Co24 1 0.66666700 0.33333300 0.00175000 1.0 Co Co25 1 0.33333300 0.66666700 0.98066000 1.0 Co Co26 1 0.00000000 0.00000000 0.83450000 1.0 Co Co27 1 0.66666700 0.33333300 0.81291400 1.0 Co Co28 1 0.66666700 0.33333300 0.49982300 1.0 Co Co29 1 0.33333300 0.66666700 0.66679400 1.0 Co Co30 1 0.66666700 0.33333300 0.62602200 1.0 Co Co31 1 0.00000000 0.00000000 0.45839800 1.0 Co Co32 1 0.00000000 0.00000000 0.33293100 1.0 Co Co33 1 0.33333300 0.66666700 0.29141500 1.0 Co Co34 1 0.66666700 0.33333300 0.12326400 1.0 Co Co35 1 0.33333300 0.66666700 0.16724300 1.0 O O36 1 0.17226800 0.34453600 0.93285500 1.0 O O37 1 0.33333300 0.66666700 0.85681400 1.0 O O38 1 0.65546400 0.82773200 0.93285500 1.0 O O39 1 0.17226800 0.82773200 0.93285500 1.0 O O40 1 0.81979800 0.18020200 0.85993600 1.0 O O41 1 0.50091800 0.00183500 0.76615500 1.0 O O42 1 0.66666700 0.33333300 0.69728200 1.0 O O43 1 0.36040400 0.18020200 0.85993600 1.0 O O44 1 0.66666700 0.33333300 0.93179300 1.0 O O45 1 0.99816500 0.49908200 0.76615500 1.0 O O46 1 0.50091800 0.49908200 0.76615500 1.0 O O47 1 0.81979800 0.63959600 0.85993600 1.0 O O48 1 0.85201400 0.70402800 0.60195000 1.0 O O49 1 0.14638400 0.85361600 0.68927100 1.0 O O50 1 0.00000000 0.00000000 0.52842400 1.0 O O51 1 0.70723200 0.85361600 0.68927100 1.0 O O52 1 0.00000000 0.00000000 0.76387200 1.0 O O53 1 0.29597200 0.14798600 0.60195000 1.0 O O54 1 0.85201400 0.14798600 0.60195000 1.0 O O55 1 0.14638400 0.29276800 0.68927100 1.0 O O56 1 0.48072000 0.51928000 0.52341200 1.0 O O57 1 0.18596500 0.37193000 0.43518900 1.0 O O58 1 0.03856000 0.51928000 0.52341200 1.0 O O59 1 0.33333300 0.66666700 0.59712200 1.0 O O60 1 0.33333300 0.66666700 0.36140400 1.0 O O61 1 0.62807000 0.81403500 0.43518900 1.0 O O62 1 0.48072000 0.96144000 0.52341200 1.0 O O63 1 0.18596500 0.81403500 0.43518900 1.0 O O64 1 0.81407300 0.18592700 0.35657200 1.0 O O65 1 0.51943100 0.03886100 0.26823700 1.0 O O66 1 0.66666700 0.33333300 0.43025400 1.0 O O67 1 0.66666700 0.33333300 0.19396600 1.0 O O68 1 0.37185300 0.18592700 0.35657200 1.0 O O69 1 0.96113900 0.48056900 0.26823700 1.0 O O70 1 0.81407300 0.62814700 0.35657200 1.0 O O71 1 0.51943100 0.48056900 0.26823700 1.0 O O72 1 0.85513700 0.71027400 0.10124300 1.0 O O73 1 0.14710900 0.85289100 0.18993600 1.0 O O74 1 0.00000000 0.00000000 0.26351600 1.0 O O75 1 0.00000000 0.00000000 0.02092100 1.0 O O76 1 0.70578200 0.85289100 0.18993600 1.0 O O77 1 0.28972600 0.14486300 0.10124300 1.0 O O78 1 0.14710900 0.29421800 0.18993600 1.0 O O79 1 0.85513700 0.14486300 0.10124300 1.0 O O80 1 0.48710200 0.51289800 0.02764400 1.0 O O81 1 0.02579600 0.51289800 0.02764400 1.0 O O82 1 0.33333300 0.66666700 0.09844500 1.0 O O83 1 0.48710200 0.97420400 0.02764400 1.0