# generated using pymatgen
data_Ti12AgSn8Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.21383450
_cell_length_b   9.21383476
_cell_length_c   5.70898400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999907
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti12AgSn8Hg
_chemical_formula_sum   'Ti12 Ag1 Sn8 Hg1'
_cell_volume   419.73026790
_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  0.84279862  0.68559623  0.74999624  1.0
  Ti  Ti1  1  0.15720138  0.84279862  0.25000376  1.0
  Ti  Ti2  1  0.68559623  0.84279862  0.25000376  1.0
  Ti  Ti3  1  0.31440377  0.15720138  0.74999624  1.0
  Ti  Ti4  1  0.84279862  0.15720138  0.74999624  1.0
  Ti  Ti5  1  0.15720138  0.31440377  0.25000376  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  0.00000000  1.0
  Ti  Ti9  1  0.00000000  0.50000000  0.50000000  1.0
  Ti  Ti10  1  0.50000000  0.00000000  0.00000000  1.0
  Ti  Ti11  1  0.50000000  0.50000000  0.50000000  1.0
  Ag  Ag12  1  0.00000000  0.00000000  0.50000000  1.0
  Sn  Sn13  1  0.19609298  0.39218596  0.74904160  1.0
  Sn  Sn14  1  0.80390702  0.19609298  0.25095840  1.0
  Sn  Sn15  1  0.39218596  0.19609298  0.25095840  1.0
  Sn  Sn16  1  0.60781404  0.80390702  0.74904160  1.0
  Sn  Sn17  1  0.19609298  0.80390702  0.74904160  1.0
  Sn  Sn18  1  0.80390702  0.60781404  0.25095840  1.0
  Sn  Sn19  1  0.66666700  0.33333300  0.75009664  1.0
  Sn  Sn20  1  0.33333300  0.66666700  0.24990336  1.0
  Hg  Hg21  1  0.00000000  0.00000000  0.00000000  1.0