data_[Mg6Ag4Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.0930]
_cell_length_b [3.2275]
_cell_length_c [5.1051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7036]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg3Ag2Hg3]
_chemical_formula_sum '[Mg6 Ag4 Hg6]'
_cell_volume [327.2529]
_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  0.1324  0.0000  0.5528  1.0
  Mg  Mg1  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  4  0.2474  0.5000  0.7419  1.0
  Hg  Hg3  4  0.1291  0.5000  0.0511  1.0
  Hg  Hg4  2  0.0000  0.5000  0.5000  1.0
]