# generated using pymatgen
data_Ba2TlCuHgO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.34118020
_cell_length_b   12.34118020
_cell_length_c   12.34118020
_cell_angle_alpha   161.76790656
_cell_angle_beta   161.76790656
_cell_angle_gamma   25.89526092
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TlCuHgO5
_chemical_formula_sum   'Ba2 Tl1 Cu1 Hg1 O5'
_cell_volume   183.92702438
_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  0.41906500  0.41906500  0.00000000  1.0
  Ba  Ba1  1  0.58493100  0.58493100  0.00000000  1.0
  Tl  Tl2  1  0.20078200  0.20078200  0.00000000  1.0
  Cu  Cu3  1  0.00600400  0.00600400  0.00000000  1.0
  Hg  Hg4  1  0.79543100  0.79543100  0.00000000  1.0
  O  O5  1  0.99831900  0.49831900  0.50000000  1.0
  O  O6  1  0.10863100  0.10863100  0.00000000  1.0
  O  O7  1  0.71061300  0.71061300  0.00000000  1.0
  O  O8  1  0.49831900  0.99831900  0.50000000  1.0
  O  O9  1  0.87892100  0.87892100  0.00000000  1.0