# generated using pymatgen
data_Ba2(CuO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49436725
_cell_length_b   4.49436725
_cell_length_c   11.63852463
_cell_angle_alpha   86.75099644
_cell_angle_beta   86.75099644
_cell_angle_gamma   106.13121175
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2(CuO2)3
_chemical_formula_sum   'Ba2 Cu3 O6'
_cell_volume   224.82775233
_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  0.06085000  0.04755700  0.25073600  1.0
  Ba  Ba1  1  0.95244300  0.93915000  0.74926400  1.0
  Cu  Cu2  1  0.26594000  0.73406000  0.50000000  1.0
  Cu  Cu3  1  0.27749200  0.72250800  0.00000000  1.0
  Cu  Cu4  1  0.74237700  0.25762300  0.50000000  1.0
  O  O5  1  0.52736300  0.01796500  0.39050400  1.0
  O  O6  1  0.98203500  0.47263700  0.60949600  1.0
  O  O7  1  0.43790900  0.92105400  0.86905900  1.0
  O  O8  1  0.07894600  0.56209100  0.13094100  1.0
  O  O9  1  0.48101500  0.97306900  0.60625900  1.0
  O  O10  1  0.02693100  0.51898500  0.39374100  1.0