# generated using pymatgen
data_Ba(CuO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73915136
_cell_length_b   5.73915210
_cell_length_c   6.48579350
_cell_angle_alpha   116.25966457
_cell_angle_beta   116.25966100
_cell_angle_gamma   90.00001223
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(CuO)2
_chemical_formula_sum   'Ba2 Cu4 O4'
_cell_volume   166.64280981
_cell_formula_units_Z   2
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  0.87500000  0.12500000  0.75000000  1.0
  Ba  Ba1  1  0.12500000  0.87500000  0.25000000  1.0
  Cu  Cu2  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu3  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu4  1  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu5  1  0.50000000  0.50000000  0.00000000  1.0
  O  O6  1  0.61217328  0.86217328  0.22434656  1.0
  O  O7  1  0.86217328  0.61217328  0.72434656  1.0
  O  O8  1  0.38782672  0.13782672  0.77565344  1.0
  O  O9  1  0.13782672  0.38782672  0.27565344  1.0