data_HfBeHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   6.46
_cell_angle_alpha   151.82
_cell_angle_beta   142.27
_cell_angle_gamma   47.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBeHg2
_chemical_formula_sum   'Hf1 Be1 Hg2'
_cell_volume   77.5
_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  0.0  0.09  0.18  1.0
  Be  Be0  1  0.0  0.0  0.9  1.0
  Hg  Hg2  1  0.0  0.0  0.02  1.0
  Hg  Hg3  1  0.57  0.0  0.71  1.0

data_HfBeHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.18
_cell_length_c   6.46
_cell_angle_alpha   108.86
_cell_angle_beta   104.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBeHg2
_chemical_formula_sum   'Hf1 Be1 Hg2'
_cell_volume   77.5
_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  0.82  0.91  0.91  1.0
  Be  Be1  1  0.1  0.1  0.1  1.0
  Hg  Hg2  1  0.87  0.29  0.87  1.0
  Hg  Hg3  1  0.98  0.98  0.98  1.0

Hf Be Hg Hg