# generated using pymatgen
data_Ti12Sn5Hg2Bi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.28006230
_cell_length_b   9.29062106
_cell_length_c   5.75583092
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.96241910
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti12Sn5Hg2Bi3
_chemical_formula_sum   'Ti12 Sn5 Hg2 Bi3'
_cell_volume   429.93087660
_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  0.84052522  0.68104944  0.75000000  1.0
  Ti  Ti1  1  0.15775555  0.84179744  0.25000000  1.0
  Ti  Ti2  1  0.68404088  0.84179744  0.25000000  1.0
  Ti  Ti3  1  0.31148995  0.15499328  0.75000000  1.0
  Ti  Ti4  1  0.84350433  0.15499328  0.75000000  1.0
  Ti  Ti5  1  0.15489923  0.30979946  0.25000000  1.0
  Ti  Ti6  1  0.49882185  0.99764270  0.50419906  1.0
  Ti  Ti7  1  0.50475919  0.50453239  0.00004081  1.0
  Ti  Ti8  1  0.99977220  0.50453239  0.00004081  1.0
  Ti  Ti9  1  0.99977220  0.50453239  0.49995919  1.0
  Ti  Ti10  1  0.49882185  0.99764270  0.99580094  1.0
  Ti  Ti11  1  0.50475919  0.50453239  0.49995919  1.0
  Sn  Sn12  1  0.60713758  0.80436695  0.75000000  1.0
  Sn  Sn13  1  0.19722838  0.80436695  0.75000000  1.0
  Sn  Sn14  1  0.80508506  0.61016811  0.25000000  1.0
  Sn  Sn15  1  0.66690215  0.33380229  0.75000000  1.0
  Sn  Sn16  1  0.33384238  0.66768576  0.25000000  1.0
  Hg  Hg17  1  0.99512550  0.99024999  0.50085059  1.0
  Hg  Hg18  1  0.99512550  0.99024999  0.99914941  1.0
  Bi  Bi19  1  0.20027132  0.40054365  0.75000000  1.0
  Bi  Bi20  1  0.80241138  0.20036049  0.25000000  1.0
  Bi  Bi21  1  0.39795011  0.20036049  0.25000000  1.0