# generated using pymatgen
data_Ba2Tl2Cu2HgO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.07845218
_cell_length_b   15.07845218
_cell_length_c   15.07845218
_cell_angle_alpha   165.09243782
_cell_angle_beta   165.09243782
_cell_angle_gamma   21.14281431
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Tl2Cu2HgO8
_chemical_formula_sum   'Ba2 Tl2 Cu2 Hg1 O8'
_cell_volume   226.85707548
_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  0.37276700  0.37276700  0.00000000  1.0
  Ba  Ba1  1  0.62413300  0.62413300  0.00000000  1.0
  Tl  Tl2  1  0.21373600  0.21373600  0.00000000  1.0
  Tl  Tl3  1  0.49946700  0.49946700  0.00000000  1.0
  Cu  Cu4  1  0.94252600  0.94252600  0.00000000  1.0
  Cu  Cu5  1  0.05572000  0.05572000  0.00000000  1.0
  Hg  Hg6  1  0.78817100  0.78817100  0.00000000  1.0
  O  O7  1  0.45009200  0.95009200  0.50000000  1.0
  O  O8  1  0.95009200  0.45009200  0.50000000  1.0
  O  O9  1  0.55109000  0.05109000  0.50000000  1.0
  O  O10  1  0.05109000  0.55109000  0.50000000  1.0
  O  O11  1  0.28215200  0.28215200  0.00000000  1.0
  O  O12  1  0.71528400  0.71528400  0.00000000  1.0
  O  O13  1  0.86001500  0.86001500  0.00000000  1.0
  O  O14  1  0.14366300  0.14366300  0.00000000  1.0