# generated using pymatgen
data_Ba2UCuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80770200
_cell_length_b   6.14121622
_cell_length_c   5.80770200
_cell_angle_alpha   61.78078867
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.21921133
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2UCuO6
_chemical_formula_sum   'Ba2 U1 Cu1 O6'
_cell_volume   154.01391607
_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  0.25000000  0.50000000  0.25000000  1.0
  Ba  Ba1  1  0.75000000  0.50000000  0.75000000  1.0
  U  U2  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu3  1  0.50000000  0.00000000  0.50000000  1.0
  O  O4  1  0.25702000  0.00000100  0.25701900  1.0
  O  O5  1  0.74298000  0.00000000  0.25702000  1.0
  O  O6  1  0.25702000  0.00000000  0.74298000  1.0
  O  O7  1  0.74298000  0.99999900  0.74298100  1.0
  O  O8  1  0.77620400  0.55240800  0.22379600  1.0
  O  O9  1  0.22379600  0.44759200  0.77620400  1.0