# generated using pymatgen
data_BaSrLiNdTlCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89994900
_cell_length_b   3.91529115
_cell_length_c   14.63607718
_cell_angle_alpha   91.08695264
_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   223.44442640
_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  0.50324200  0.87170800  1
  Sr  Sr1  1  0.50000000  0.51270700  0.21510600  1
  Li  Li2  1  0.50000000  0.52823100  0.63500900  1
  Nd  Nd3  1  0.50000000  0.51572700  0.45615800  1
  Tl  Tl4  1  0.00000000  0.05740300  0.04151000  1
  Cu  Cu5  1  0.00000000  0.02324400  0.58740200  1
  Cu  Cu6  1  0.00000000  0.00937700  0.34457600  1
  O  O7  1  0.50000000  0.02318100  0.58112400  1
  O  O8  1  0.00000000  0.52265700  0.57996000  1
  O  O9  1  0.50000000  0.00999800  0.36011800  1
  O  O10  1  0.00000000  0.50995700  0.35887300  1
  O  O11  1  0.00000000  0.98898000  0.88395500  1
  O  O12  1  0.00000000  0.97603000  0.18908000  1
  O  O13  1  0.50000000  0.41693300  0.04125400  1
