# generated using pymatgen
data_BaSrAl20(CuO17)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67081178
_cell_length_b   5.67081178
_cell_length_c   22.82302500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999745
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrAl20(CuO17)2
_chemical_formula_sum   'Ba1 Sr1 Al20 Cu2 O34'
_cell_volume   635.61525923
_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  0.24809500  1.0
  Sr  Sr1  1  0.66666700  0.33333300  0.74731900  1.0
  Al  Al2  1  0.00000000  0.00000000  0.67244800  1.0
  Al  Al3  1  0.66666700  0.33333300  0.32375600  1.0
  Al  Al4  1  0.66666700  0.33333300  0.17171800  1.0
  Al  Al5  1  0.00000000  0.00000000  0.82290200  1.0
  Al  Al6  1  0.33333300  0.66666700  0.50191400  1.0
  Al  Al7  1  0.33333300  0.66666700  0.00044100  1.0
  Al  Al8  1  0.16501400  0.33002900  0.39424200  1.0
  Al  Al9  1  0.16501400  0.83498600  0.39424200  1.0
  Al  Al10  1  0.66997100  0.83498600  0.39424200  1.0
  Al  Al11  1  0.49761100  0.99522100  0.60726600  1.0
  Al  Al12  1  0.49761100  0.50238900  0.60726600  1.0
  Al  Al13  1  0.00477900  0.50238900  0.60726600  1.0
  Al  Al14  1  0.50210200  0.00420300  0.89273100  1.0
  Al  Al15  1  0.50210200  0.49789800  0.89273100  1.0
  Al  Al16  1  0.99579700  0.49789800  0.89273100  1.0
  Al  Al17  1  0.16929000  0.33857900  0.10582300  1.0
  Al  Al18  1  0.16929000  0.83071000  0.10582300  1.0
  Al  Al19  1  0.66142100  0.83071000  0.10582300  1.0
  Al  Al20  1  0.66666700  0.33333300  0.47795100  1.0
  Al  Al21  1  0.00000000  0.00000000  0.97700000  1.0
  Cu  Cu22  1  0.00000000  0.00000000  0.52535500  1.0
  Cu  Cu23  1  0.66666700  0.33333300  0.02473200  1.0
  O  O24  1  0.18513700  0.37027400  0.55493000  1.0
  O  O25  1  0.18513700  0.81486300  0.55493000  1.0
  O  O26  1  0.62972600  0.81486300  0.55493000  1.0
  O  O27  1  0.49124400  0.98248800  0.45032300  1.0
  O  O28  1  0.49124400  0.50875600  0.45032300  1.0
  O  O29  1  0.01751200  0.50875600  0.45032300  1.0
  O  O30  1  0.48120400  0.96240900  0.05365900  1.0
  O  O31  1  0.48120400  0.51879600  0.05365900  1.0
  O  O32  1  0.03759100  0.51879600  0.05365900  1.0
  O  O33  1  0.17501100  0.35002300  0.94911400  1.0
  O  O34  1  0.17501100  0.82498900  0.94911400  1.0
  O  O35  1  0.64997700  0.82498900  0.94911400  1.0
  O  O36  1  0.00000000  0.00000000  0.43654800  1.0
  O  O37  1  0.66666700  0.33333300  0.55764800  1.0
  O  O38  1  0.66666700  0.33333300  0.93546100  1.0
  O  O39  1  0.00000000  0.00000000  0.05663300  1.0
  O  O40  1  0.82609000  0.65218100  0.64965400  1.0
  O  O41  1  0.82609000  0.17391000  0.64965400  1.0
  O  O42  1  0.34781900  0.17391000  0.64965400  1.0
  O  O43  1  0.83671700  0.67343300  0.35039700  1.0
  O  O44  1  0.83671700  0.16328300  0.35039700  1.0
  O  O45  1  0.32656700  0.16328300  0.35039700  1.0
  O  O46  1  0.83907100  0.67814200  0.14752400  1.0
  O  O47  1  0.83907100  0.16092900  0.14752400  1.0
  O  O48  1  0.32185800  0.16092900  0.14752400  1.0
  O  O49  1  0.82851700  0.65703400  0.84823800  1.0
  O  O50  1  0.82851700  0.17148300  0.84823800  1.0
  O  O51  1  0.34296600  0.17148300  0.84823800  1.0
  O  O52  1  0.33333300  0.66666700  0.64829000  1.0
  O  O53  1  0.33333300  0.66666700  0.35871500  1.0
  O  O54  1  0.33333300  0.66666700  0.14741000  1.0
  O  O55  1  0.33333300  0.66666700  0.85796600  1.0
  O  O56  1  0.00000000  0.00000000  0.74802000  1.0
  O  O57  1  0.66666700  0.33333300  0.24797800  1.0