data_[Mg12Ag4Hg12]
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 [Cmmm]
_cell_length_a [9.5653]
_cell_length_b [9.5987]
_cell_length_c [6.6411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Mg3AgHg3]
_chemical_formula_sum '[Mg12 Ag4 Hg12]'
_cell_volume [609.7460]
_cell_formula_units_Z [4]
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  0.2500  0.2500  0.2409  1
  Mg  Mg1  4  0.0000  0.0000  0.2398  1
  Ag  Ag2  4  0.0000  0.2488  0.0000  1
  Hg  Hg3  4  0.0000  0.2703  0.5000  1
  Hg  Hg4  4  0.1829  0.5000  0.0000  1
  Hg  Hg5  4  0.2344  0.5000  0.5000  1
]