# generated using pymatgen
data_Ti6SnHgC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12244443
_cell_length_b   3.12244440
_cell_length_c   18.85546444
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998981
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6SnHgC4
_chemical_formula_sum   'Ti6 Sn1 Hg1 C4'
_cell_volume   159.20523446
_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  0.00000000  0.00000000  0.99852797  1.0
  Ti  Ti1  1  0.33333300  0.66666700  0.12271040  1.0
  Ti  Ti2  1  0.33333300  0.66666700  0.37728960  1.0
  Ti  Ti3  1  0.00000000  0.00000000  0.50147203  1.0
  Ti  Ti4  1  0.66666700  0.33333300  0.62570009  1.0
  Ti  Ti5  1  0.66666700  0.33333300  0.87429991  1.0
  Sn  Sn6  1  0.00000000  0.00000000  0.75000000  1.0
  Hg  Hg7  1  0.00000000  0.00000000  0.25000000  1.0
  C  C8  1  0.33333300  0.66666700  0.93069879  1.0
  C  C9  1  0.66666700  0.33333300  0.06715048  1.0
  C  C10  1  0.66666700  0.33333300  0.43284952  1.0
  C  C11  1  0.33333300  0.66666700  0.56930121  1.0