data_HfSiHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.43
_cell_angle_alpha   108.56
_cell_angle_beta   108.56
_cell_angle_gamma   34.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSiHg2
_chemical_formula_sum   'Hf1 Si1 Hg2'
_cell_volume   82.71
_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  0.21  0.0  0.42  1.0
  Si  Si3  1  0.01  0.0  0.02  1.0
  Hg  Hg1  1  0.08  0.0  0.15  1.0
  Hg  Hg2  1  0.37  0.0  0.09  1.0

data_HfSiHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.32
_cell_length_c   5.43
_cell_angle_alpha   108.56
_cell_angle_beta   90.0
_cell_angle_gamma   107.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSiHg2
_chemical_formula_sum   'Hf1 Si1 Hg2'
_cell_volume   82.71
_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  0.79  0.58  1.0
  Si  Si1  1  0.0  0.99  0.98  1.0
  Hg  Hg2  1  0.0  0.63  0.91  1.0
  Hg  Hg3  1  0.0  0.92  0.85  1.0

Hf Si Hg Hg