data_[Zr20Ag4Hg4]
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 [Imma]
_cell_length_a [5.8465]
_cell_length_b [10.4528]
_cell_length_c [10.4217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Zr5AgHg]
_chemical_formula_sum '[Zr20 Ag4 Hg4]'
_cell_volume [636.8935]
_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  8  0.0000  0.0035  0.3541  1
  Zr  Zr1  8  0.2265  0.2500  0.5023  1
  Zr  Zr2  4  0.0000  0.2500  0.2214  1
  Ag  Ag3  4  0.0000  0.2500  0.7630  1
  Hg  Hg4  4  0.0000  0.0000  0.0000  1
]