# generated using pymatgen
data_Ti16Hg4C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76748400
_cell_length_b   3.76748400
_cell_length_c   33.40864700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti16Hg4C5
_chemical_formula_sum   'Ti16 Hg4 C5'
_cell_volume   474.20018702
_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  0.50000000  0.50000000  0.02720900  1.0
  Ti  Ti1  1  0.50000000  0.50000000  0.17279100  1.0
  Ti  Ti2  1  0.50000000  0.50000000  0.34473600  1.0
  Ti  Ti3  1  0.50000000  0.50000000  0.60000000  1.0
  Ti  Ti4  1  0.50000000  0.50000000  0.85526400  1.0
  Ti  Ti5  1  0.50000000  0.00000000  0.10000000  1.0
  Ti  Ti6  1  0.50000000  0.00000000  0.40170600  1.0
  Ti  Ti7  1  0.50000000  0.00000000  0.54706800  1.0
  Ti  Ti8  1  0.50000000  0.00000000  0.65293200  1.0
  Ti  Ti9  1  0.50000000  0.00000000  0.79829400  1.0
  Ti  Ti10  1  0.00000000  0.50000000  0.10000000  1.0
  Ti  Ti11  1  0.00000000  0.50000000  0.40170600  1.0
  Ti  Ti12  1  0.00000000  0.50000000  0.54706800  1.0
  Ti  Ti13  1  0.00000000  0.50000000  0.65293200  1.0
  Ti  Ti14  1  0.00000000  0.50000000  0.79829400  1.0
  Ti  Ti15  1  0.50000000  0.50000000  0.10000000  1.0
  Hg  Hg16  1  0.50000000  0.50000000  0.25821500  1.0
  Hg  Hg17  1  0.50000000  0.50000000  0.47459300  1.0
  Hg  Hg18  1  0.50000000  0.50000000  0.72540700  1.0
  Hg  Hg19  1  0.50000000  0.50000000  0.94178500  1.0
  C  C20  1  0.00000000  0.00000000  0.05075400  1.0
  C  C21  1  0.00000000  0.00000000  0.14924600  1.0
  C  C22  1  0.00000000  0.00000000  0.36839600  1.0
  C  C23  1  0.00000000  0.00000000  0.60000000  1.0
  C  C24  1  0.00000000  0.00000000  0.83160400  1.0