# generated using pymatgen
data_BaSrLiNdTlCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89115000
_cell_length_b   3.90723663
_cell_length_c   14.92467460
_cell_angle_alpha   89.56437591
_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   226.90287830
_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  0.50529700  0.78696400  1
  Sr  Sr1  1  0.50000000  0.53588600  0.12534600  1
  Li  Li2  1  0.50000000  0.51858600  0.36112800  1
  Nd  Nd3  1  0.50000000  0.51278100  0.53733900  1
  Tl  Tl4  1  0.00000000  0.06272600  0.96982500  1
  Cu  Cu5  1  0.00000000  0.00967700  0.64073900  1
  Cu  Cu6  1  0.00000000  0.01655900  0.40938400  1
  O  O7  1  0.50000000  0.01049600  0.63174100  1
  O  O8  1  0.00000000  0.50991600  0.63245100  1
  O  O9  1  0.50000000  0.01646300  0.41602000  1
  O  O10  1  0.00000000  0.51626300  0.41633900  1
  O  O11  1  0.00000000  0.99098500  0.82534100  1
  O  O12  1  0.00000000  0.97634200  0.12267800  1
  O  O13  1  0.50000000  0.41569100  0.97366400  1
