data_Hf2CuHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   5.71
_cell_angle_alpha   101.15
_cell_angle_beta   101.15
_cell_angle_gamma   39.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CuHg
_chemical_formula_sum   'Hf2 Cu1 Hg1'
_cell_volume   81.93
_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  0.43  0.0  0.34  1.0
  Hf  Hf2  1  0.48  0.0  0.25  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.95  0.0  0.79  1.0

data_Hf2CuHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.82
_cell_length_c   5.71
_cell_angle_alpha   101.15
_cell_angle_beta   90.0
_cell_angle_gamma   109.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CuHg
_chemical_formula_sum   'Hf2 Cu1 Hg1'
_cell_volume   81.93
_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  0.52  0.75  1.0
  Hf  Hf1  1  0.0  0.57  0.66  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.05  0.21  1.0

Hf Hf Cu Hg