data_[Mg6Sn2Hg12]
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 [Pnnm]
_cell_length_a [8.4456]
_cell_length_b [12.2808]
_cell_length_c [4.7388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Mg3SnHg6]
_chemical_formula_sum '[Mg6 Sn2 Hg12]'
_cell_volume [491.5067]
_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  4  0.1506  0.8564  0.5000  1
  Mg  Mg1  2  0.0000  0.5000  0.0000  1
  Sn  Sn2  2  0.0000  0.0000  0.0000  1
  Hg  Hg3  4  0.0206  0.2573  0.0000  1
  Hg  Hg4  4  0.1472  0.4091  0.5000  1
  Hg  Hg5  4  0.2028  0.1245  0.5000  1
]