data_Hf2TaHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.43
_cell_angle_alpha   101.21
_cell_angle_beta   101.21
_cell_angle_gamma   34.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TaHg
_chemical_formula_sum   'Hf2 Ta1 Hg1'
_cell_volume   83.29
_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  0.66  0.0  1.0  1.0
  Hf  Hf1  1  0.23  0.0  0.32  1.0
  Ta  Ta3  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.45  0.0  0.66  1.0

data_Hf2TaHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.24
_cell_length_c   5.43
_cell_angle_alpha   101.21
_cell_angle_beta   90.0
_cell_angle_gamma   107.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TaHg
_chemical_formula_sum   'Hf2 Ta1 Hg1'
_cell_volume   83.29
_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  0.34  0.0  1.0
  Hf  Hf1  1  0.0  0.77  0.68  1.0
  Ta  Ta2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.55  0.34  1.0

Hf Hf Ta Hg