data_HfGaHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   4.32
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   102.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGaHg2
_chemical_formula_sum   'Hf1 Ga1 Hg2'
_cell_volume   83.06
_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  0.89  0.16  0.36  1.0
  Ga  Ga0  1  0.46  0.0  0.29  1.0
  Hg  Hg2  1  0.6  0.0  0.1  1.0
  Hg  Hg3  1  0.51  0.16  0.5  1.0

data_HfGaHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.32
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   102.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGaHg2
_chemical_formula_sum   'Hf1 Ga1 Hg2'
_cell_volume   83.06
_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  0.89  0.16  0.36  1.0
  Ga  Ga1  1  0.46  0.0  0.29  1.0
  Hg  Hg2  1  0.51  0.16  0.5  1.0
  Hg  Hg3  1  0.6  0.0  0.1  1.0

Hf Ga Hg Hg
Hf Ga Hg Hg 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 1 3 o o o 