# generated using pymatgen
data_Ba2(CuO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.59311200
_cell_length_b   8.27177800
_cell_length_c   12.17324163
_cell_angle_alpha   70.44196759
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2(CuO2)3
_chemical_formula_sum   'Ba8 Cu12 O24'
_cell_volume   720.46925134
_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
  Ba  Ba0  1  0.50000000  0.43538900  0.75767900  1.0
  Ba  Ba1  1  0.50000000  0.09187500  0.25833800  1.0
  Ba  Ba2  1  0.00000000  0.82472000  0.25123600  1.0
  Ba  Ba3  1  0.00000000  0.31836900  0.24781700  1.0
  Ba  Ba4  1  0.00000000  0.17528000  0.74876400  1.0
  Ba  Ba5  1  0.50000000  0.90812500  0.74166200  1.0
  Ba  Ba6  1  0.00000000  0.68163100  0.75218300  1.0
  Ba  Ba7  1  0.50000000  0.56461100  0.24232100  1.0
  Cu  Cu8  1  0.24926400  0.66550300  0.50027700  1.0
  Cu  Cu9  1  0.74710100  0.66798000  0.99852900  1.0
  Cu  Cu10  1  0.24926400  0.33449700  0.49972300  1.0
  Cu  Cu11  1  0.25289900  0.33202000  0.00147100  1.0
  Cu  Cu12  1  0.75073600  0.33449700  0.49972300  1.0
  Cu  Cu13  1  0.24701600  0.00000000  0.00000000  1.0
  Cu  Cu14  1  0.25289900  0.66798000  0.99852900  1.0
  Cu  Cu15  1  0.75298400  0.00000000  0.00000000  1.0
  Cu  Cu16  1  0.75073600  0.66550300  0.50027700  1.0
  Cu  Cu17  1  0.74710100  0.33202000  0.00147100  1.0
  Cu  Cu18  1  0.74600200  0.00000000  0.50000000  1.0
  Cu  Cu19  1  0.25399800  0.00000000  0.50000000  1.0
  O  O20  1  0.76667200  0.11108500  0.11248900  1.0
  O  O21  1  0.74789200  0.77874200  0.10950900  1.0
  O  O22  1  0.23434200  0.55513900  0.38840700  1.0
  O  O23  1  0.74900700  0.88730900  0.38978000  1.0
  O  O24  1  0.76565800  0.44486100  0.61159300  1.0
  O  O25  1  0.74789200  0.22125800  0.89049100  1.0
  O  O26  1  0.25210800  0.77874200  0.10950900  1.0
  O  O27  1  0.23332800  0.88891500  0.88751100  1.0
  O  O28  1  0.26822200  0.44683500  0.11068800  1.0
  O  O29  1  0.23332800  0.11108500  0.11248900  1.0
  O  O30  1  0.26924500  0.77815500  0.61089800  1.0
  O  O31  1  0.73075500  0.77815500  0.61089800  1.0
  O  O32  1  0.76667200  0.88891500  0.88751100  1.0
  O  O33  1  0.26924500  0.22184500  0.38910200  1.0
  O  O34  1  0.73177800  0.44683500  0.11068800  1.0
  O  O35  1  0.74900700  0.11269100  0.61022000  1.0
  O  O36  1  0.26822200  0.55316500  0.88931200  1.0
  O  O37  1  0.73177800  0.55316500  0.88931200  1.0
  O  O38  1  0.25099300  0.11269100  0.61022000  1.0
  O  O39  1  0.25210800  0.22125800  0.89049100  1.0
  O  O40  1  0.73075500  0.22184500  0.38910200  1.0
  O  O41  1  0.76565800  0.55513900  0.38840700  1.0
  O  O42  1  0.25099300  0.88730900  0.38978000  1.0
  O  O43  1  0.23434200  0.44486100  0.61159300  1.0