data_[Mg8Ag12Hg4]
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 [15.1720]
_cell_length_b [4.2498]
_cell_length_c [8.6960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7454]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2Ag3Hg]
_chemical_formula_sum '[Mg8 Ag12 Hg4]'
_cell_volume [460.7212]
_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  4  0.0820  0.5000  0.9360  1.0
  Mg  Mg1  4  0.2428  0.0000  0.6328  1.0
  Ag  Ag2  4  0.0820  0.0000  0.7060  1.0
  Ag  Ag3  4  0.0853  0.5000  0.4647  1.0
  Ag  Ag4  4  0.2492  0.5000  0.8789  1.0
  Hg  Hg5  4  0.0905  0.0000  0.2142  1.0
]