# generated using pymatgen
data_Ti6V6Sn9Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.13754458
_cell_length_b   9.13754522
_cell_length_c   5.55523779
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000127
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6V6Sn9Hg
_chemical_formula_sum   'Ti6 V6 Sn9 Hg1'
_cell_volume   401.69120899
_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
  Ti  Ti0  1  0.84398441  0.68796982  0.75467471  1.0
  Ti  Ti1  1  0.15601559  0.84398441  0.24532529  1.0
  Ti  Ti2  1  0.68796982  0.84398441  0.24532529  1.0
  Ti  Ti3  1  0.31203018  0.15601559  0.75467471  1.0
  Ti  Ti4  1  0.84398441  0.15601559  0.75467471  1.0
  Ti  Ti5  1  0.15601559  0.31203018  0.24532529  1.0
  V  V6  1  0.50000000  0.00000000  0.50000000  1.0
  V  V7  1  0.50000000  0.50000000  0.00000000  1.0
  V  V8  1  0.00000000  0.50000000  0.00000000  1.0
  V  V9  1  0.00000000  0.50000000  0.50000000  1.0
  V  V10  1  0.50000000  0.00000000  0.00000000  1.0
  V  V11  1  0.50000000  0.50000000  0.50000000  1.0
  Sn  Sn12  1  0.20520027  0.41039954  0.74686368  1.0
  Sn  Sn13  1  0.79479973  0.20520027  0.25313632  1.0
  Sn  Sn14  1  0.41039954  0.20520027  0.25313632  1.0
  Sn  Sn15  1  0.58960046  0.79479973  0.74686368  1.0
  Sn  Sn16  1  0.20520027  0.79479973  0.74686368  1.0
  Sn  Sn17  1  0.79479973  0.58960046  0.25313632  1.0
  Sn  Sn18  1  0.66666700  0.33333300  0.75183058  1.0
  Sn  Sn19  1  0.33333300  0.66666700  0.24816942  1.0
  Sn  Sn20  1  0.00000000  0.00000000  0.00000000  1.0
  Hg  Hg21  1  0.00000000  0.00000000  0.50000000  1.0