# generated using pymatgen
data_TmHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54723607
_cell_length_b   6.54723741
_cell_length_c   4.92321867
_cell_angle_alpha   89.99999994
_cell_angle_beta   90.00000020
_cell_angle_gamma   120.00004433
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmHg3
_chemical_formula_sum   'Tm2 Hg6'
_cell_volume   182.76610342
_cell_formula_units_Z   2
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
  Tm  Tm0  1  0.33333295  0.66666693  0.74999983  1.0
  Tm  Tm1  1  0.66666798  0.33333403  0.24999935  1.0
  Hg  Hg2  1  0.16703752  0.33407389  0.24999919  1.0
  Hg  Hg3  1  0.66592606  0.83296253  0.24999919  1.0
  Hg  Hg4  1  0.16703844  0.83296260  0.24999919  1.0
  Hg  Hg5  1  0.83296163  0.66592621  0.75000075  1.0
  Hg  Hg6  1  0.33407575  0.16703842  0.75000075  1.0
  Hg  Hg7  1  0.83296167  0.16703840  0.75000075  1.0