# generated using pymatgen
data_Ba2AlTlCr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83182900
_cell_length_b   3.83182900
_cell_length_c   13.28359900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2AlTlCr2O7
_chemical_formula_sum   'Ba2 Al1 Tl1 Cr2 O7'
_cell_volume   195.04193489
_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  0.00000000  0.19845600  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.80154400  1.0
  Al  Al2  1  0.00000000  0.00000000  0.50000000  1.0
  Tl  Tl3  1  0.50000000  0.50000000  0.00000000  1.0
  Cr  Cr4  1  0.50000000  0.50000000  0.37111600  1.0
  Cr  Cr5  1  0.50000000  0.50000000  0.62888400  1.0
  O  O6  1  0.50000000  0.50000000  0.22492600  1.0
  O  O7  1  0.50000000  0.00000000  0.40646400  1.0
  O  O8  1  0.00000000  0.50000000  0.40646400  1.0
  O  O9  1  0.00000000  0.50000000  0.59353600  1.0
  O  O10  1  0.00000000  0.00000000  0.00000000  1.0
  O  O11  1  0.50000000  0.00000000  0.59353600  1.0
  O  O12  1  0.50000000  0.50000000  0.77507400  1.0