# generated using pymatgen
data_BaCuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75462251
_cell_length_b   11.75018900
_cell_length_c   3.76948933
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.02351827
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCuO2
_chemical_formula_sum   'Ba4 Cu4 O8'
_cell_volume   254.88493870
_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  0.22370900  0.11255000  0.50587800  1.0
  Ba  Ba1  1  0.27604700  0.38810300  0.50501400  1.0
  Ba  Ba2  1  0.72395300  0.88810300  0.49498600  1.0
  Ba  Ba3  1  0.77629100  0.61255000  0.49412200  1.0
  Cu  Cu4  1  0.23595900  0.87383100  0.98592800  1.0
  Cu  Cu5  1  0.26421200  0.62642600  0.98546500  1.0
  Cu  Cu6  1  0.73578800  0.12642600  0.01453500  1.0
  Cu  Cu7  1  0.76404100  0.37383100  0.01407200  1.0
  O  O8  1  0.02117700  0.74788700  0.97217700  1.0
  O  O9  1  0.97882300  0.24788700  0.02782300  1.0
  O  O10  1  0.02316300  0.49875100  0.00028300  1.0
  O  O11  1  0.47605200  0.00138300  0.00090800  1.0
  O  O12  1  0.47877600  0.75306900  0.97017000  1.0
  O  O13  1  0.52122400  0.25306900  0.02983000  1.0
  O  O14  1  0.52394800  0.50138300  0.99909200  1.0
  O  O15  1  0.97683700  0.99875100  0.99971700  1.0