# generated using pymatgen
data_Ba4Tl13Hg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80093004
_cell_length_b   6.80093004
_cell_length_c   19.75889001
_cell_angle_alpha   80.09381845
_cell_angle_beta   80.09381845
_cell_angle_gamma   45.10390336
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Tl13Hg3
_chemical_formula_sum   'Ba4 Tl13 Hg3'
_cell_volume   636.06489156
_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  0.68525714  0.68525714  0.14667917  1.0
  Ba  Ba1  1  0.18485443  0.18485443  0.64805312  1.0
  Ba  Ba2  1  0.81664957  0.81664957  0.35468612  1.0
  Ba  Ba3  1  0.31372483  0.31372483  0.85148404  1.0
  Tl  Tl4  1  0.52772677  0.52772677  0.33049727  1.0
  Tl  Tl5  1  0.02480528  0.02480528  0.82618007  1.0
  Tl  Tl6  1  0.97982764  0.97982764  0.17131863  1.0
  Tl  Tl7  1  0.47318353  0.47318353  0.67341802  1.0
  Tl  Tl8  1  0.11103858  0.11103858  0.44064324  1.0
  Tl  Tl9  1  0.60397564  0.60397564  0.93903700  1.0
  Tl  Tl10  1  0.38965445  0.38965445  0.05806586  1.0
  Tl  Tl11  1  0.89459698  0.89459698  0.56057644  1.0
  Tl  Tl12  1  0.37521994  0.37521994  0.47557665  1.0
  Tl  Tl13  1  0.87704373  0.87704373  0.97267585  1.0
  Tl  Tl14  1  0.12767272  0.12767272  0.02384634  1.0
  Tl  Tl15  1  0.62398695  0.62398695  0.52690358  1.0
  Tl  Tl16  1  0.36283135  0.36283135  0.22083491  1.0
  Hg  Hg17  1  0.86376483  0.86376483  0.72105475  1.0
  Hg  Hg18  1  0.12980432  0.12980432  0.27977258  1.0
  Hg  Hg19  1  0.63438130  0.63438130  0.77869635  1.0