data_Hf2SnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   136.72
_cell_angle_beta   136.72
_cell_angle_gamma   62.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2SnHg
_chemical_formula_sum   'Hf2 Sn1 Hg1'
_cell_volume   87.03
_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  0.11  0.0  0.44  1.0
  Hf  Hf1  1  0.0  0.0  0.88  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.0  0.11  0.44  1.0

data_Hf2SnHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   5.72
_cell_angle_alpha   111.64
_cell_angle_beta   111.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2SnHg
_chemical_formula_sum   'Hf2 Sn1 Hg1'
_cell_volume   87.03
_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  0.44  0.33  0.33  1.0
  Hf  Hf1  1  0.88  0.88  0.88  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.33  0.44  0.33  1.0

Hf Hf Sn Hg