# generated using pymatgen
data_Ba2UCuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55294090
_cell_length_b   6.55294090
_cell_length_c   6.55294090
_cell_angle_alpha   112.23005641
_cell_angle_beta   112.23005641
_cell_angle_gamma   104.08417573
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2UCuO6
_chemical_formula_sum   'Ba2 U1 Cu1 O6'
_cell_volume   215.19614832
_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  0.00000000  0.50000000  0.50000000  1.0
  Ba  Ba1  1  0.50000000  0.00000000  0.50000000  1.0
  U  U2  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu3  1  0.50000000  0.50000000  0.00000000  1.0
  O  O4  1  0.80410500  0.80410500  0.60820900  1.0
  O  O5  1  0.80410500  0.19589500  0.00000000  1.0
  O  O6  1  0.19589500  0.80410500  0.00000000  1.0
  O  O7  1  0.19589500  0.19589500  0.39179100  1.0
  O  O8  1  0.28144800  0.28144800  0.00000000  1.0
  O  O9  1  0.71855200  0.71855200  0.00000000  1.0