# generated using pymatgen
data_Ba2YCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03843500
_cell_length_b   6.03843500
_cell_length_c   7.99082800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YCuO5
_chemical_formula_sum   'Ba4 Y2 Cu2 O10'
_cell_volume   291.36714213
_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  0.00000000  0.50000000  0.25165500  1.0
  Ba  Ba1  1  0.00000000  0.50000000  0.74834500  1.0
  Ba  Ba2  1  0.50000000  0.00000000  0.25165500  1.0
  Ba  Ba3  1  0.50000000  0.00000000  0.74834500  1.0
  Y  Y4  1  0.50000000  0.50000000  0.50000000  1.0
  Y  Y5  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu6  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu7  1  0.50000000  0.50000000  0.00000000  1.0
  O  O8  1  0.27485100  0.27485100  0.00000000  1.0
  O  O9  1  0.72514900  0.72514900  0.00000000  1.0
  O  O10  1  0.72514900  0.27485100  0.00000000  1.0
  O  O11  1  0.27485100  0.72514900  0.00000000  1.0
  O  O12  1  0.00000000  0.00000000  0.26578300  1.0
  O  O13  1  0.00000000  0.00000000  0.73421700  1.0
  O  O14  1  0.25000400  0.25000400  0.50000000  1.0
  O  O15  1  0.74999600  0.74999600  0.50000000  1.0
  O  O16  1  0.74999600  0.25000400  0.50000000  1.0
  O  O17  1  0.25000400  0.74999600  0.50000000  1.0