# generated using pymatgen
data_Ti3ZnHg4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.10981800
_cell_length_b   3.10981800
_cell_length_c   15.73893800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3ZnHg4
_chemical_formula_sum   'Ti3 Zn1 Hg4'
_cell_volume   152.21076564
_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  0.50000000  0.50000000  0.24884000  1.0
  Ti  Ti1  1  0.50000000  0.50000000  0.50000000  1.0
  Ti  Ti2  1  0.50000000  0.50000000  0.75116000  1.0
  Zn  Zn3  1  0.50000000  0.50000000  0.00000000  1.0
  Hg  Hg4  1  0.00000000  0.00000000  0.87643500  1.0
  Hg  Hg5  1  0.00000000  0.00000000  0.12356500  1.0
  Hg  Hg6  1  0.00000000  0.00000000  0.37422500  1.0
  Hg  Hg7  1  0.00000000  0.00000000  0.62577500  1.0