# generated using pymatgen
data_Ba2NdTlCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92903900
_cell_length_b   3.94818700
_cell_length_c   12.88166800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NdTlCu2O7
_chemical_formula_sum   'Ba2 Nd1 Tl1 Cu2 O7'
_cell_volume   199.82791443
_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  0.49616500  0.79489800  1.0
  Ba  Ba1  1  0.50000000  0.49616500  0.20510200  1.0
  Nd  Nd2  1  0.50000000  0.49988400  0.50000000  1.0
  Tl  Tl3  1  0.00000000  0.93162000  0.00000000  1.0
  Cu  Cu4  1  0.00000000  0.99991100  0.63591800  1.0
  Cu  Cu5  1  0.00000000  0.99991100  0.36408200  1.0
  O  O6  1  0.50000000  0.99861600  0.61920800  1.0
  O  O7  1  0.00000000  0.50004500  0.61978700  1.0
  O  O8  1  0.50000000  0.99861600  0.38079200  1.0
  O  O9  1  0.00000000  0.50004500  0.38021300  1.0
  O  O10  1  0.00000000  0.00779000  0.83345700  1.0
  O  O11  1  0.00000000  0.00779000  0.16654300  1.0
  O  O12  1  0.50000000  0.61164300  0.00000000  1.0