# generated using pymatgen
data_BaSrLiNdTlCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94781620
_cell_length_b   4.34958629
_cell_length_c   12.29871755
_cell_angle_alpha   85.00981581
_cell_angle_beta   87.74053393
_cell_angle_gamma   87.93584825
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrLiNdTlCu2O7
_chemical_formula_sum   'Ba1 Sr1 Li1 Nd1 Tl1 Cu2 O7'
_cell_volume   210.10906357
_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  0.51040600  0.57764000  0.81299100  1
  Sr  Sr1  1  0.45666600  0.48331000  0.22036500  1
  Li  Li2  1  0.24363200  0.17017700  0.45594300  1
  Nd  Nd3  1  0.61284900  0.62603100  0.52304100  1
  Tl  Tl4  1  0.98230200  0.07418900  0.01199500  1
  Cu  Cu5  1  0.03311100  0.10084100  0.65490900  1
  Cu  Cu6  1  0.93567600  0.94377300  0.32716700  1
  O  O7  1  0.52865500  0.11450600  0.59843400  1
  O  O8  1  0.06722400  0.60705000  0.63669100  1
  O  O9  1  0.43456300  0.91965600  0.35547200  1
  O  O10  1  0.93331300  0.41201700  0.37629700  1
  O  O11  1  0.99218900  0.03314700  0.83382100  1
  O  O12  1  0.95193300  0.82917000  0.16900200  1
  O  O13  1  0.46748200  0.35615900  0.01866500  1
