# generated using pymatgen
data_Ba(TlHg)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.09264800
_cell_length_b   11.09264800
_cell_length_c   5.20950800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(TlHg)2
_chemical_formula_sum   'Ba4 Tl8 Hg8'
_cell_volume   641.01349554
_cell_formula_units_Z   4
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  0.85205800  0.14794200  0.00000000  1.0
  Ba  Ba1  1  0.64794200  0.64794200  0.50000000  1.0
  Ba  Ba2  1  0.35205800  0.35205800  0.50000000  1.0
  Ba  Ba3  1  0.14794200  0.85205800  0.00000000  1.0
  Tl  Tl4  1  0.52933200  0.85920500  0.00000000  1.0
  Tl  Tl5  1  0.47066800  0.14079500  0.00000000  1.0
  Tl  Tl6  1  0.64079500  0.02933200  0.50000000  1.0
  Tl  Tl7  1  0.35920500  0.97066800  0.50000000  1.0
  Tl  Tl8  1  0.85920500  0.52933200  0.00000000  1.0
  Tl  Tl9  1  0.02933200  0.64079500  0.50000000  1.0
  Tl  Tl10  1  0.97066800  0.35920500  0.50000000  1.0
  Tl  Tl11  1  0.14079500  0.47066800  0.00000000  1.0
  Hg  Hg12  1  0.81246800  0.81246800  0.00000000  1.0
  Hg  Hg13  1  0.31246800  0.68753200  0.50000000  1.0
  Hg  Hg14  1  0.68753200  0.31246800  0.50000000  1.0
  Hg  Hg15  1  0.18753200  0.18753200  0.00000000  1.0
  Hg  Hg16  1  0.40460900  0.59539100  0.00000000  1.0
  Hg  Hg17  1  0.09539100  0.09539100  0.50000000  1.0
  Hg  Hg18  1  0.90460900  0.90460900  0.50000000  1.0
  Hg  Hg19  1  0.59539100  0.40460900  0.00000000  1.0