# generated using pymatgen
data_Ba2AlTlV2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48910700
_cell_length_b   3.99065100
_cell_length_c   16.30518393
_cell_angle_alpha   83.16701136
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2AlTlV2O7
_chemical_formula_sum   'Ba2 Al1 Tl1 V2 O7'
_cell_volume   225.41769893
_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  0.55822500  0.80967300  1.0
  Ba  Ba1  1  0.50000000  0.55531800  0.22428500  1.0
  Al  Al2  1  0.50000000  0.62185900  0.52484000  1.0
  Tl  Tl3  1  0.00000000  0.05791000  0.02718500  1.0
  V  V4  1  0.00000000  0.06801800  0.63952500  1.0
  V  V5  1  0.00000000  0.99226600  0.36661400  1.0
  O  O6  1  0.00000000  0.09602300  0.75410800  1.0
  O  O7  1  0.00000000  0.44987500  0.54763900  1.0
  O  O8  1  0.50000000  0.85972200  0.61566500  1.0
  O  O9  1  0.50000000  0.90415700  0.43478300  1.0
  O  O10  1  0.50000000  0.34189400  0.95219300  1.0
  O  O11  1  0.00000000  0.46669000  0.35754600  1.0
  O  O12  1  0.00000000  0.02804400  0.24594200  1.0