# generated using pymatgen
data_Ba2AlTlCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75261800
_cell_length_b   3.75261800
_cell_length_c   12.92960200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2AlTlCu2O7
_chemical_formula_sum   'Ba2 Al1 Tl1 Cu2 O7'
_cell_volume   182.07648948
_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  0.21261400  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.78738600  1.0
  Al  Al2  1  0.50000000  0.50000000  0.50000000  1.0
  Tl  Tl3  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.38553800  1.0
  Cu  Cu5  1  0.00000000  0.00000000  0.61446200  1.0
  O  O6  1  0.00000000  0.00000000  0.16412300  1.0
  O  O7  1  0.00000000  0.50000000  0.40368600  1.0
  O  O8  1  0.50000000  0.00000000  0.40368600  1.0
  O  O9  1  0.50000000  0.00000000  0.59631400  1.0
  O  O10  1  0.50000000  0.50000000  0.00000000  1.0
  O  O11  1  0.00000000  0.50000000  0.59631400  1.0
  O  O12  1  0.00000000  0.00000000  0.83587700  1.0