data_HfMgHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   5.99
_cell_angle_alpha   99.09
_cell_angle_beta   99.09
_cell_angle_gamma   38.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgHg2
_chemical_formula_sum   'Hf1 Mg1 Hg2'
_cell_volume   88.22
_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  0.15  0.0  0.95  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.71  0.0  0.47  1.0
  Hg  Hg2  1  0.59  0.0  0.43  1.0

data_HfMgHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.92
_cell_length_c   5.99
_cell_angle_alpha   99.09
_cell_angle_beta   90.0
_cell_angle_gamma   109.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgHg2
_chemical_formula_sum   'Hf1 Mg1 Hg2'
_cell_volume   88.22
_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  0.85  0.05  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.0  0.29  0.53  1.0
  Hg  Hg3  1  0.0  0.41  0.57  1.0

Hf Mg Hg Hg