# generated using pymatgen
data_BaSrYTlCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85118500
_cell_length_b   3.87001300
_cell_length_c   12.49511535
_cell_angle_alpha   89.83573505
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrYTlCu2O7
_chemical_formula_sum   'Ba1 Sr1 Y1 Tl1 Cu2 O7'
_cell_volume   186.22813338
_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  0.48447200  0.79428700  1.0
  Sr  Sr1  1  0.50000000  0.48378200  0.21022200  1.0
  Y  Y2  1  0.50000000  0.49772000  0.49568800  1.0
  Tl  Tl3  1  0.00000000  0.91717000  0.00785800  1.0
  Cu  Cu4  1  0.00000000  0.99533300  0.62596000  1.0
  Cu  Cu5  1  0.00000000  0.99605800  0.35930700  1.0
  O  O6  1  0.50000000  0.99552100  0.61030800  1.0
  O  O7  1  0.00000000  0.49560200  0.61082000  1.0
  O  O8  1  0.50000000  0.99763400  0.37990000  1.0
  O  O9  1  0.00000000  0.49615700  0.37888500  1.0
  O  O10  1  0.00000000  0.99285200  0.83783400  1.0
  O  O11  1  0.00000000  0.00071300  0.17761100  1.0
  O  O12  1  0.50000000  0.56198700  0.01131800  1.0