# generated using pymatgen
data_Ti4HgC2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07207678
_cell_length_b   3.07207686
_cell_length_c   24.14898322
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998857
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4HgC2O
_chemical_formula_sum   'Ti8 Hg2 C4 O2'
_cell_volume   197.37569561
_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
  Ti  Ti0  1  0.00000000  0.00000000  0.34975484  1.0
  Ti  Ti1  1  0.00000000  0.00000000  0.65024516  1.0
  Ti  Ti2  1  0.00000000  0.00000000  0.84975484  1.0
  Ti  Ti3  1  0.00000000  0.00000000  0.15024516  1.0
  Ti  Ti4  1  0.33333300  0.66666700  0.44416202  1.0
  Ti  Ti5  1  0.66666700  0.33333300  0.55583798  1.0
  Ti  Ti6  1  0.66666700  0.33333300  0.94416202  1.0
  Ti  Ti7  1  0.33333300  0.66666700  0.05583798  1.0
  Hg  Hg8  1  0.33333300  0.66666700  0.25000000  1.0
  Hg  Hg9  1  0.66666700  0.33333300  0.75000000  1.0
  C  C10  1  0.66666700  0.33333300  0.39629058  1.0
  C  C11  1  0.33333300  0.66666700  0.60370942  1.0
  C  C12  1  0.33333300  0.66666700  0.89629058  1.0
  C  C13  1  0.66666700  0.33333300  0.10370942  1.0
  O  O14  1  0.00000000  0.00000000  0.50000000  1.0
  O  O15  1  0.00000000  0.00000000  0.00000000  1.0