data_[Zr4Ag12Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  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 [16.2079]
_cell_length_b [3.0116]
_cell_length_c [8.3063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9575]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrAg3Hg]
_chemical_formula_sum '[Zr4 Ag12 Hg4]'
_cell_volume [391.7067]
_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
[
  Zr  Zr0  4  0.1059  0.0000  0.0568  1.0
  Ag  Ag1  4  0.1037  0.0000  0.5495  1.0
  Ag  Ag2  4  0.2027  0.5000  0.3577  1.0
  Ag  Ag3  4  0.2042  0.5000  0.8458  1.0
  Hg  Hg4  4  0.0035  0.5000  0.7471  1.0
]