# generated using pymatgen
data_Ba2AlCu3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81042400
_cell_length_b   3.81042400
_cell_length_c   11.57635100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2AlCu3O8
_chemical_formula_sum   'Ba2 Al1 Cu3 O8'
_cell_volume   168.08087263
_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  0.50000000  0.50000000  0.17146900  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.82853100  1.0
  Al  Al2  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu3  1  0.00000000  0.00000000  0.35577600  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu5  1  0.00000000  0.00000000  0.64422400  1.0
  O  O6  1  0.00000000  0.50000000  0.39753100  1.0
  O  O7  1  0.50000000  0.00000000  0.39753100  1.0
  O  O8  1  0.50000000  0.00000000  0.00000000  1.0
  O  O9  1  0.00000000  0.00000000  0.18291700  1.0
  O  O10  1  0.00000000  0.50000000  0.60246900  1.0
  O  O11  1  0.50000000  0.00000000  0.60246900  1.0
  O  O12  1  0.00000000  0.00000000  0.81708300  1.0
  O  O13  1  0.00000000  0.50000000  0.00000000  1.0