data_HfHg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01
_cell_length_b   7.01
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   142.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfHg5
_chemical_formula_sum   'Hf1 Hg5'
_cell_volume   135.51
_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  0.0  0.0  1.0
  Hg  Hg1  1  0.24  0.47  0.27  1.0
  Hg  Hg2  1  0.24  0.8  0.0  1.0
  Hg  Hg3  1  0.24  0.0  0.27  1.0
  Hg  Hg4  1  0.24  0.2  0.0  1.0
  Hg  Hg5  1  0.24  0.53  0.27  1.0

data_HfHg5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.55
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   108.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfHg5
_chemical_formula_sum   'Hf1 Hg5'
_cell_volume   135.51
_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  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.73  0.76  1.0
  Hg  Hg2  1  0.2  0.0  0.95  1.0
  Hg  Hg3  1  0.47  0.73  0.23  1.0
  Hg  Hg4  1  0.53  0.73  0.28  1.0
  Hg  Hg5  1  0.8  0.0  0.56  1.0

Hf Hg Hg Hg Hg Hg