data_[Mg4Al1Hg7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9105]
_cell_length_b [7.1468]
_cell_length_c [7.6246]
_cell_angle_alpha [115.3598]
_cell_angle_beta [106.9170]
_cell_angle_gamma [90.7500]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mg4AlHg7]
_chemical_formula_sum '[Mg4 Al1 Hg7]'
_cell_volume [274.8842]
_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  2  0.1580  0.1867  0.7589  1
  Mg  Mg1  2  0.4505  0.4243  0.2400  1
  Al  Al2  1  0.0000  0.0000  0.0000  1
  Hg  Hg3  2  0.1226  0.2874  0.4177  1
  Hg  Hg4  2  0.2051  0.6438  0.0056  1
  Hg  Hg5  2  0.3435  0.8255  0.5014  1
  Hg  Hg6  1  0.5000  0.0000  0.0000  1
]