# generated using pymatgen
data_Ba2TlCuHgO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90053800
_cell_length_b   4.28645500
_cell_length_c   11.20673141
_cell_angle_alpha   78.97456755
_cell_angle_beta   79.97798467
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TlCuHgO6
_chemical_formula_sum   'Ba2 Tl1 Cu1 Hg1 O6'
_cell_volume   180.99859324
_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  0.41303400  0.41303400  0.17393200  1.0
  Ba  Ba1  1  0.58643900  0.58643900  0.82712300  1.0
  Tl  Tl2  1  0.79574500  0.79574500  0.40851100  1.0
  Cu  Cu3  1  0.00171500  0.00171500  0.99657000  1.0
  Hg  Hg4  1  0.20168000  0.20168000  0.59664000  1.0
  O  O5  1  0.09778900  0.09778900  0.80442200  1.0
  O  O6  1  0.89666200  0.89666200  0.20667600  1.0
  O  O7  1  0.49696900  0.99696900  0.00606100  1.0
  O  O8  1  0.00107800  0.50107800  0.99784400  1.0
  O  O9  1  0.77648100  0.27648100  0.44703800  1.0
  O  O10  1  0.23240800  0.73240800  0.53518300  1.0