# generated using pymatgen
data_Ti2NbHgC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16740110
_cell_length_b   3.16740247
_cell_length_c   18.91765720
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998571
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NbHgC2
_chemical_formula_sum   'Ti4 Nb2 Hg2 C4'
_cell_volume   164.36311395
_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  0.33333300  0.66666700  0.12549064  1.0
  Ti  Ti1  1  0.33333300  0.66666700  0.37450936  1.0
  Ti  Ti2  1  0.66666700  0.33333300  0.62549064  1.0
  Ti  Ti3  1  0.66666700  0.33333300  0.87450936  1.0
  Nb  Nb4  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb5  1  0.00000000  0.00000000  0.50000000  1.0
  Hg  Hg6  1  0.00000000  0.00000000  0.25000000  1.0
  Hg  Hg7  1  0.00000000  0.00000000  0.75000000  1.0
  C  C8  1  0.33333300  0.66666700  0.92825942  1.0
  C  C9  1  0.66666700  0.33333300  0.07174058  1.0
  C  C10  1  0.66666700  0.33333300  0.42825942  1.0
  C  C11  1  0.33333300  0.66666700  0.57174058  1.0