data_[Mg10Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0477]
_cell_length_b [3.2637]
_cell_length_c [16.1629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg5Hg]
_chemical_formula_sum '[Mg10 Hg2]'
_cell_volume [266.2665]
_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  2  0.0000  0.0000  0.5564  1.0
  Mg  Mg1  2  0.0000  0.0000  0.8834  1.0
  Mg  Mg2  2  0.5000  0.0000  0.0002  1.0
  Mg  Mg3  2  0.5000  0.0000  0.3346  1.0
  Mg  Mg4  2  0.5000  0.0000  0.6705  1.0
  Hg  Hg5  2  0.0000  0.0000  0.2215  1.0
]