# generated using pymatgen
data_BaCuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06111736
_cell_length_b   11.91043092
_cell_length_c   3.70276219
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00892813
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCuO2
_chemical_formula_sum   'Ba4 Cu4 O8'
_cell_volume   267.30432309
_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  0.98144102  0.89298987  0.50104148  1.0
  Ba  Ba1  1  0.51948811  0.60755502  0.49715126  1.0
  Ba  Ba2  1  0.48051189  0.10755502  0.50284874  1.0
  Ba  Ba3  1  0.01855898  0.39298987  0.49895852  1.0
  Cu  Cu4  1  0.98386004  0.12397089  0.00568033  1.0
  Cu  Cu5  1  0.51451296  0.37685490  0.00272861  1.0
  Cu  Cu6  1  0.48548704  0.87685490  0.99727139  1.0
  Cu  Cu7  1  0.01613996  0.62397089  0.99431967  1.0
  O  O8  1  0.98936418  0.66479992  0.49429341  1.0
  O  O9  1  0.01063582  0.16479992  0.50570659  1.0
  O  O10  1  0.25884900  0.51073824  0.99728642  1.0
  O  O11  1  0.24158727  0.98946280  0.00158206  1.0
  O  O12  1  0.51114725  0.83562937  0.49737496  1.0
  O  O13  1  0.48885275  0.33562937  0.50262504  1.0
  O  O14  1  0.75841273  0.48946280  0.99841794  1.0
  O  O15  1  0.74115100  0.01073824  0.00271358  1.0