data_HfGaHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.54
_cell_angle_alpha   102.69
_cell_angle_beta   102.69
_cell_angle_gamma   35.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGaHg2
_chemical_formula_sum   'Hf1 Ga1 Hg2'
_cell_volume   84.88
_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  Hf1  1  0.25  0.0  0.43  1.0
  Ga  Ga0  1  0.36  0.0  0.59  1.0
  Hg  Hg2  1  0.02  0.0  0.03  1.0
  Hg  Hg3  1  0.44  0.0  0.03  1.0

data_HfGaHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.24
_cell_length_c   5.54
_cell_angle_alpha   102.69
_cell_angle_beta   90.0
_cell_angle_gamma   107.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGaHg2
_chemical_formula_sum   'Hf1 Ga1 Hg2'
_cell_volume   84.88
_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  0.75  0.57  1.0
  Ga  Ga1  1  0.0  0.64  0.41  1.0
  Hg  Hg2  1  0.0  0.56  0.97  1.0
  Hg  Hg3  1  0.0  0.98  0.97  1.0

Hf Ga Hg Hg