# generated using pymatgen data_Al5(BiSe4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.91134700 _cell_length_b 7.91134700 _cell_length_c 37.76785300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al5(BiSe4)3 _chemical_formula_sum 'Al20 Bi12 Se48' _cell_volume 2363.86768739 _cell_formula_units_Z 4 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 0.83294300 1.0 Al Al1 1 0.00000000 0.00000000 0.16705700 1.0 Al Al2 1 0.00000000 0.00000000 0.50000000 1.0 Al Al3 1 0.00000000 0.00000000 0.91709600 1.0 Al Al4 1 0.00000000 0.00000000 0.58290400 1.0 Al Al5 1 0.00000000 0.00000000 0.00000000 1.0 Al Al6 1 0.00000000 0.00000000 0.33294300 1.0 Al Al7 1 0.00000000 0.00000000 0.66705700 1.0 Al Al8 1 0.50000000 0.50000000 0.08264600 1.0 Al Al9 1 0.50000000 0.50000000 0.41735400 1.0 Al Al10 1 0.50000000 0.50000000 0.75000000 1.0 Al Al11 1 0.50000000 0.50000000 0.33303200 1.0 Al Al12 1 0.50000000 0.50000000 0.66696800 1.0 Al Al13 1 0.50000000 0.50000000 0.83303200 1.0 Al Al14 1 0.50000000 0.50000000 0.16696800 1.0 Al Al15 1 0.00000000 0.00000000 0.08290400 1.0 Al Al16 1 0.00000000 0.00000000 0.41709600 1.0 Al Al17 1 0.50000000 0.50000000 0.91735400 1.0 Al Al18 1 0.50000000 0.50000000 0.25000000 1.0 Al Al19 1 0.50000000 0.50000000 0.58264600 1.0 Bi Bi20 1 0.00000000 0.50000000 0.87485300 1.0 Bi Bi21 1 0.00000000 0.50000000 0.20868100 1.0 Bi Bi22 1 0.00000000 0.50000000 0.54167700 1.0 Bi Bi23 1 0.50000000 0.00000000 0.12514700 1.0 Bi Bi24 1 0.50000000 0.00000000 0.45832300 1.0 Bi Bi25 1 0.50000000 0.00000000 0.79131900 1.0 Bi Bi26 1 0.50000000 0.00000000 0.04167700 1.0 Bi Bi27 1 0.50000000 0.00000000 0.37485300 1.0 Bi Bi28 1 0.50000000 0.00000000 0.70868100 1.0 Bi Bi29 1 0.00000000 0.50000000 0.95832300 1.0 Bi Bi30 1 0.00000000 0.50000000 0.29131900 1.0 Bi Bi31 1 0.00000000 0.50000000 0.62514700 1.0 Se Se32 1 0.33731300 0.66828300 0.87457500 1.0 Se Se33 1 0.33683000 0.66870500 0.20851800 1.0 Se Se34 1 0.33428500 0.66122400 0.54220300 1.0 Se Se35 1 0.33877600 0.66571500 0.04220300 1.0 Se Se36 1 0.33171700 0.66268700 0.37457500 1.0 Se Se37 1 0.33129500 0.66317000 0.70851800 1.0 Se Se38 1 0.83692600 0.83116900 0.04160500 1.0 Se Se39 1 0.83693200 0.83252900 0.37563400 1.0 Se Se40 1 0.83332100 0.84142900 0.70777200 1.0 Se Se41 1 0.66268700 0.33171700 0.87457500 1.0 Se Se42 1 0.66317000 0.33129500 0.20851800 1.0 Se Se43 1 0.66571500 0.33877600 0.54220300 1.0 Se Se44 1 0.33171700 0.33731300 0.12542500 1.0 Se Se45 1 0.33877600 0.33428500 0.45779700 1.0 Se Se46 1 0.33129500 0.33683000 0.79148200 1.0 Se Se47 1 0.16883100 0.83692600 0.95839500 1.0 Se Se48 1 0.15857100 0.83332100 0.29222800 1.0 Se Se49 1 0.16747100 0.83693200 0.62436600 1.0 Se Se50 1 0.33428500 0.33877600 0.95779700 1.0 Se Se51 1 0.33683000 0.33129500 0.29148200 1.0 Se Se52 1 0.33731300 0.33171700 0.62542500 1.0 Se Se53 1 0.83252900 0.83693200 0.87563400 1.0 Se Se54 1 0.84142900 0.83332100 0.20777200 1.0 Se Se55 1 0.83116900 0.83692600 0.54160500 1.0 Se Se56 1 0.83116900 0.16307400 0.95839500 1.0 Se Se57 1 0.84142900 0.16667900 0.29222800 1.0 Se Se58 1 0.83252900 0.16306800 0.62436600 1.0 Se Se59 1 0.66828300 0.66268700 0.12542500 1.0 Se Se60 1 0.66122400 0.66571500 0.45779700 1.0 Se Se61 1 0.66870500 0.66317000 0.79148200 1.0 Se Se62 1 0.16747100 0.16306800 0.87563400 1.0 Se Se63 1 0.15857100 0.16667900 0.20777200 1.0 Se Se64 1 0.16883100 0.16307400 0.54160500 1.0 Se Se65 1 0.66122400 0.33428500 0.04220300 1.0 Se Se66 1 0.66828300 0.33731300 0.37457500 1.0 Se Se67 1 0.66870500 0.33683000 0.70851800 1.0 Se Se68 1 0.16307400 0.16883100 0.04160500 1.0 Se Se69 1 0.16306800 0.16747100 0.37563400 1.0 Se Se70 1 0.16667900 0.15857100 0.70777200 1.0 Se Se71 1 0.83693200 0.16747100 0.12436600 1.0 Se Se72 1 0.83692600 0.16883100 0.45839500 1.0 Se Se73 1 0.83332100 0.15857100 0.79222800 1.0 Se Se74 1 0.16306800 0.83252900 0.12436600 1.0 Se Se75 1 0.16307400 0.83116900 0.45839500 1.0 Se Se76 1 0.16667900 0.84142900 0.79222800 1.0 Se Se77 1 0.66571500 0.66122400 0.95779700 1.0 Se Se78 1 0.66317000 0.66870500 0.29148200 1.0 Se Se79 1 0.66268700 0.66828300 0.62542500 1.0