data_HfSi2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   4.04
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSi2Hg
_chemical_formula_sum   'Hf1 Si2 Hg1'
_cell_volume   75.1
_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
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.44  0.02  0.86  1.0
  Si  Si3  1  0.53  0.02  0.24  1.0
  Hg  Hg1  1  0.49  0.0  0.05  1.0

data_HfSi2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.04
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSi2Hg
_chemical_formula_sum   'Hf1 Si2 Hg1'
_cell_volume   75.1
_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
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.44  0.02  0.86  1.0
  Si  Si2  1  0.53  0.02  0.24  1.0
  Hg  Hg3  1  0.49  0.0  0.05  1.0

Hf Si Si Hg