[CIF]
data_ZrTi2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09013855
_cell_length_b   3.09013855
_cell_length_c   8.25782508
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTi2Hg
_chemical_formula_sum   'Zr1 Ti2 Hg1'
_cell_volume   78.85361036
_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
  Hg  Hg0  1  0.00000000  0.00000000  4.12891254  1
  Ti  Ti1  1  1.54506927  1.54506927  6.15745594  1
  Ti  Ti2  1  1.54506927  1.54506927  2.10036914  1
  Zr  Zr3  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
