# generated using pymatgen
data_Ba6YTl3(Cu2O7)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.32101400
_cell_length_b   3.71951200
_cell_length_c   11.31860621
_cell_angle_alpha   89.88150150
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6YTl3(Cu2O7)3
_chemical_formula_sum   'Ba6 Y1 Tl3 Cu6 O21'
_cell_volume   560.80938193
_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  0.20969700  0.50181300  0.16691500  1.0
  Ba  Ba1  1  0.20806000  0.50229000  0.49995900  1.0
  Ba  Ba2  1  0.20878200  0.50383100  0.83332300  1.0
  Ba  Ba3  1  0.79030300  0.50181300  0.16691500  1.0
  Ba  Ba4  1  0.79194000  0.50229000  0.49995900  1.0
  Ba  Ba5  1  0.79121800  0.50383100  0.83332300  1.0
  Y  Y6  1  0.50000000  0.50264700  0.16654800  1.0
  Tl  Tl7  1  0.00000000  0.99859000  0.00302500  1.0
  Tl  Tl8  1  0.00000000  0.01980200  0.33703000  1.0
  Tl  Tl9  1  0.00000000  0.01023300  0.67186600  1.0
  Cu  Cu10  1  0.39046200  0.00319900  0.98355500  1.0
  Cu  Cu11  1  0.38994200  0.00110700  0.34848500  1.0
  Cu  Cu12  1  0.39495300  0.00049100  0.66594900  1.0
  Cu  Cu13  1  0.61005800  0.00110700  0.34848500  1.0
  Cu  Cu14  1  0.60504700  0.00049100  0.66594900  1.0
  Cu  Cu15  1  0.60953800  0.00319900  0.98355500  1.0
  O  O16  1  0.15717500  0.00168200  0.00167700  1.0
  O  O17  1  0.15777300  0.00059500  0.33081500  1.0
  O  O18  1  0.15476000  0.00309100  0.66682800  1.0
  O  O19  1  0.38146900  0.50469500  0.01030300  1.0
  O  O20  1  0.38095200  0.50306900  0.32247200  1.0
  O  O21  1  0.36831700  0.50112200  0.66650000  1.0
  O  O22  1  0.39261000  0.00275700  0.16604300  1.0
  O  O23  1  0.36070400  0.00179900  0.50787600  1.0
  O  O24  1  0.36197400  0.00581300  0.82515800  1.0
  O  O25  1  0.60739000  0.00275700  0.16604300  1.0
  O  O26  1  0.63929600  0.00179900  0.50787600  1.0
  O  O27  1  0.63802600  0.00581300  0.82515800  1.0
  O  O28  1  0.00000000  0.48643400  0.16388400  1.0
  O  O29  1  0.00000000  0.48255900  0.49201400  1.0
  O  O30  1  0.00000000  0.51058500  0.83267700  1.0
  O  O31  1  0.61853100  0.50469500  0.01030300  1.0
  O  O32  1  0.61904800  0.50306900  0.32247200  1.0
  O  O33  1  0.63168300  0.50112200  0.66650000  1.0
  O  O34  1  0.84282500  0.00168200  0.00167700  1.0
  O  O35  1  0.84222700  0.00059500  0.33081500  1.0
  O  O36  1  0.84524000  0.00309100  0.66682800  1.0