data_Mg2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71
_cell_length_b   8.55
_cell_length_c   4.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Hg
_chemical_formula_sum   'Mg4 Hg2'
_cell_volume   133.19
_cell_formula_units_Z   2
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
  Mg  Mg2  1  0.52  0.92  0.0  1.0
  Mg  Mg3  1  0.33  0.2  0.1  1.0
  Mg  Mg4  1  0.37  0.35  0.1  1.0
  Mg  Mg5  1  0.19  0.63  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.85  0.28  0.1  1.0

data_Mg2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   4.2
_cell_length_c   8.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Hg
_chemical_formula_sum   'Mg4 Hg2'
_cell_volume   133.19
_cell_formula_units_Z   2
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
  Mg  Mg0  1  0.48  0.0  0.08  1.0
  Mg  Mg1  1  0.63  0.9  0.65  1.0
  Mg  Mg2  1  0.67  0.9  0.8  1.0
  Mg  Mg3  1  0.81  0.0  0.37  1.0
  Hg  Hg4  1  0.0  0.0  0.0  1.0
  Hg  Hg5  1  0.15  0.9  0.72  1.0

Mg Mg Mg Mg Hg Hg