# generated using pymatgen
data_BaSrLiNdTlCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89498500
_cell_length_b   4.02463695
_cell_length_c   13.05510099
_cell_angle_alpha   86.16013427
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrLiNdTlCu2O7
_chemical_formula_sum   'Ba1 Sr1 Li1 Nd1 Tl1 Cu2 O7'
_cell_volume   204.19104800
_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  0.42850600  0.75899500  1
  Sr  Sr1  1  0.50000000  0.57014000  0.21962900  1
  Li  Li2  1  0.50000000  0.86067500  0.92827600  1
  Nd  Nd3  1  0.50000000  0.49739100  0.48514100  1
  Tl  Tl4  1  0.00000000  0.19215500  0.02440900  1
  Cu  Cu5  1  0.00000000  0.97118400  0.60774500  1
  Cu  Cu6  1  0.00000000  0.02359700  0.35952000  1
  O  O7  1  0.50000000  0.97055300  0.61364300  1
  O  O8  1  0.00000000  0.47065000  0.60944200  1
  O  O9  1  0.50000000  0.02077800  0.37628100  1
  O  O10  1  0.00000000  0.52056300  0.36910300  1
  O  O11  1  0.00000000  0.97642400  0.86392900  1
  O  O12  1  0.00000000  0.01330200  0.18532800  1
  O  O13  1  0.50000000  0.48175100  0.01522600  1
