# generated using pymatgen
data_Ba2Tl2CuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90561087
_cell_length_b   3.90561087
_cell_length_c   12.26301425
_cell_angle_alpha   81.19346218
_cell_angle_beta   80.64415543
_cell_angle_gamma   90.50783122
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Tl2CuO6
_chemical_formula_sum   'Ba2 Tl2 Cu1 O6'
_cell_volume   182.28402753
_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  0.41701700  0.42110900  0.16187400  1.0
  Ba  Ba1  1  0.58298300  0.57889100  0.83812600  1.0
  Tl  Tl2  1  0.77707800  0.81970200  0.40322100  1.0
  Tl  Tl3  1  0.22292200  0.18029800  0.59677900  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.00000000  1.0
  O  O5  1  0.88741500  0.87898800  0.23359700  1.0
  O  O6  1  0.11258500  0.12101200  0.76640300  1.0
  O  O7  1  0.00000000  0.50000000  0.00000000  1.0
  O  O8  1  0.50000000  0.00000000  0.00000000  1.0
  O  O9  1  0.69015200  0.73223800  0.57760900  1.0
  O  O10  1  0.30984800  0.26776200  0.42239100  1.0