# generated using pymatgen
data_Ba8CaY3(CuO2)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.66337943
_cell_length_b   8.66337943
_cell_length_c   12.73996266
_cell_angle_alpha   74.16268564
_cell_angle_beta   74.16268564
_cell_angle_gamma   52.94486315
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba8CaY3(CuO2)12
_chemical_formula_sum   'Ba8 Ca1 Y3 Cu12 O24'
_cell_volume   726.76228144
_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  0.32608400  0.32608400  0.19559000  1.0
  Ba  Ba1  1  0.82629900  0.82629900  0.19550800  1.0
  Ba  Ba2  1  0.57609700  0.57609700  0.19524200  1.0
  Ba  Ba3  1  0.07526100  0.07526100  0.19862000  1.0
  Ba  Ba4  1  0.17370100  0.17370100  0.80449200  1.0
  Ba  Ba5  1  0.67391600  0.67391600  0.80441000  1.0
  Ba  Ba6  1  0.42390300  0.42390300  0.80475800  1.0
  Ba  Ba7  1  0.92473900  0.92473900  0.80138000  1.0
  Ca  Ca8  1  0.00000000  0.00000000  0.50000000  1.0
  Y  Y9  1  0.24883500  0.24883500  0.50001600  1.0
  Y  Y10  1  0.50000000  0.50000000  0.50000000  1.0
  Y  Y11  1  0.75116500  0.75116500  0.49998400  1.0
  Cu  Cu12  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu13  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu14  1  0.24982700  0.75017300  0.00000000  1.0
  Cu  Cu15  1  0.75017300  0.24982700  0.00000000  1.0
  Cu  Cu16  1  0.15906900  0.66001500  0.36347400  1.0
  Cu  Cu17  1  0.66001500  0.15906900  0.36347400  1.0
  Cu  Cu18  1  0.40823500  0.90913100  0.36351300  1.0
  Cu  Cu19  1  0.90913100  0.40823500  0.36351300  1.0
  Cu  Cu20  1  0.09086900  0.59176500  0.63648700  1.0
  Cu  Cu21  1  0.59176500  0.09086900  0.63648700  1.0
  Cu  Cu22  1  0.33998500  0.84093100  0.63652600  1.0
  Cu  Cu23  1  0.84093100  0.33998500  0.63652600  1.0
  O  O24  1  0.21246000  0.71263800  0.14877600  1.0
  O  O25  1  0.71263800  0.21245900  0.14877600  1.0
  O  O26  1  0.46294500  0.96313300  0.14875600  1.0
  O  O27  1  0.96313300  0.46294500  0.14875600  1.0
  O  O28  1  0.03686700  0.53705500  0.85124400  1.0
  O  O29  1  0.53705500  0.03686700  0.85124400  1.0
  O  O30  1  0.28736200  0.78754000  0.85122400  1.0
  O  O31  1  0.78754000  0.28736200  0.85122400  1.0
  O  O32  1  0.02981200  0.52979800  0.37991000  1.0
  O  O33  1  0.52979800  0.02981200  0.37991000  1.0
  O  O34  1  0.28945500  0.77346200  0.37490100  1.0
  O  O35  1  0.77346200  0.28945500  0.37490100  1.0
  O  O36  1  0.40351900  0.40351900  0.38109400  1.0
  O  O37  1  0.90191800  0.90191800  0.37601300  1.0
  O  O38  1  0.65592300  0.65592300  0.38123600  1.0
  O  O39  1  0.16005000  0.16005000  0.37619100  1.0
  O  O40  1  0.97018800  0.47020200  0.62009000  1.0
  O  O41  1  0.47020200  0.97018800  0.62009000  1.0
  O  O42  1  0.22653800  0.71054500  0.62509900  1.0
  O  O43  1  0.71054500  0.22653800  0.62509900  1.0
  O  O44  1  0.34407700  0.34407700  0.61876400  1.0
  O  O45  1  0.83995000  0.83995000  0.62380900  1.0
  O  O46  1  0.59648100  0.59648100  0.61890600  1.0
  O  O47  1  0.09808200  0.09808200  0.62398700  1.0