data_[Mg1Hg6Pb1]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9754]
_cell_length_b [6.1714]
_cell_length_c [6.3854]
_cell_angle_alpha [104.6951]
_cell_angle_beta [101.4102]
_cell_angle_gamma [105.9182]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MgHg6Pb]
_chemical_formula_sum '[Mg1 Hg6 Pb1]'
_cell_volume [209.7883]
_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
[
  Mg  Mg0  1  0.0000  0.0000  0.0000  1
  Hg  Hg1  2  0.0171  0.4780  0.2495  1
  Hg  Hg2  2  0.4886  0.2426  0.3850  1
  Hg  Hg3  2  0.4983  0.7564  0.0969  1
  Pb  Pb4  1  0.0000  0.0000  0.5000  1
]