# generated using pymatgen
data_Ba2YTlFe2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96540200
_cell_length_b   3.96540200
_cell_length_c   12.96003300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YTlFe2O7
_chemical_formula_sum   'Ba2 Y1 Tl1 Fe2 O7'
_cell_volume   203.78891167
_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  0.20076600  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.79923400  1.0
  Y  Y2  1  0.00000000  0.00000000  0.50000000  1.0
  Tl  Tl3  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe4  1  0.50000000  0.50000000  0.37190800  1.0
  Fe  Fe5  1  0.50000000  0.50000000  0.62809200  1.0
  O  O6  1  0.50000000  0.50000000  0.16654000  1.0
  O  O7  1  0.50000000  0.00000000  0.38929300  1.0
  O  O8  1  0.00000000  0.50000000  0.38929300  1.0
  O  O9  1  0.00000000  0.50000000  0.61070700  1.0
  O  O10  1  0.00000000  0.00000000  0.00000000  1.0
  O  O11  1  0.50000000  0.00000000  0.61070700  1.0
  O  O12  1  0.50000000  0.50000000  0.83346000  1.0