data_[Ag28Sn2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.6818]
_cell_length_b [6.1872]
_cell_length_c [9.9661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ag14SnHg]
_chemical_formula_sum '[Ag28 Sn2 Hg2]'
_cell_volume [597.0041]
_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
[
  Ag  Ag0  8  0.2431  0.2493  0.6258  1
  Ag  Ag1  4  0.0000  0.2499  0.9491  1
  Ag  Ag2  4  0.2452  0.0000  0.8743  1
  Ag  Ag3  4  0.2452  0.0000  0.3741  1
  Ag  Ag4  4  0.5000  0.2490  0.8004  1
  Ag  Ag5  2  0.0000  0.0000  0.1991  1
  Ag  Ag6  2  0.0000  0.0000  0.6999  1
  Sn  Sn7  2  0.5000  0.0000  0.0520  1
  Hg  Hg8  2  0.5000  0.0000  0.5500  1
]