data_[Mg16Sn2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7033]
_cell_length_b [7.4451]
_cell_length_c [14.1155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Mg8SnHg2]
_chemical_formula_sum '[Mg16 Sn2 Hg4]'
_cell_volume [494.2774]
_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  8  0.0000  0.2230  0.3391  1
  Mg  Mg1  4  0.0000  0.0000  0.1565  1
  Mg  Mg2  4  0.0000  0.2956  0.0000  1
  Sn  Sn3  2  0.0000  0.5000  0.5000  1
  Hg  Hg4  4  0.0000  0.5000  0.1833  1
]