# generated using pymatgen
data_Ti11NbSn9Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.28518655
_cell_length_b   9.23959674
_cell_length_c   5.70836535
_cell_angle_alpha   89.99999930
_cell_angle_beta   90.36077003
_cell_angle_gamma   119.83770512
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti11NbSn9Hg
_chemical_formula_sum   'Ti11 Nb1 Sn9 Hg1'
_cell_volume   424.79805768
_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  0.84450354  0.68632786  0.76471303  1.0
  Ti  Ti1  1  0.15549646  0.84182432  0.23528697  1.0
  Ti  Ti2  1  0.68528156  0.84264078  0.24155827  1.0
  Ti  Ti3  1  0.31471844  0.15735922  0.75844173  1.0
  Ti  Ti4  1  0.84450354  0.15817568  0.76471303  1.0
  Ti  Ti5  1  0.15549646  0.31367214  0.23528697  1.0
  Ti  Ti6  1  0.50000000  0.00000000  0.50000000  1.0
  Ti  Ti7  1  0.50000000  0.50000000  0.00000000  1.0
  Ti  Ti8  1  0.00000000  0.50000000  0.50000000  1.0
  Ti  Ti9  1  0.50000000  0.00000000  0.00000000  1.0
  Ti  Ti10  1  0.50000000  0.50000000  0.50000000  1.0
  Nb  Nb11  1  0.00000000  0.50000000  0.00000000  1.0
  Sn  Sn12  1  0.20272931  0.40146595  0.73892758  1.0
  Sn  Sn13  1  0.79727069  0.19873664  0.26107242  1.0
  Sn  Sn14  1  0.40313767  0.20156934  0.25344252  1.0
  Sn  Sn15  1  0.59686233  0.79843066  0.74655748  1.0
  Sn  Sn16  1  0.20272931  0.80126336  0.73892758  1.0
  Sn  Sn17  1  0.79727069  0.59853405  0.26107242  1.0
  Sn  Sn18  1  0.66527096  0.33263548  0.75504422  1.0
  Sn  Sn19  1  0.33472904  0.66736452  0.24495578  1.0
  Sn  Sn20  1  0.00000000  0.00000000  0.00000000  1.0
  Hg  Hg21  1  0.00000000  0.00000000  0.50000000  1.0