data_[Ag12Sn2Hg2]
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 [4.8961]
_cell_length_b [6.3643]
_cell_length_c [9.9835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ag6SnHg]
_chemical_formula_sum '[Ag12 Sn2 Hg2]'
_cell_volume [311.0905]
_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  4  0.0000  0.2473  0.1626  1.0
  Ag  Ag1  4  0.5000  0.2454  0.3376  1.0
  Ag  Ag2  2  0.0000  0.0000  0.4078  1.0
  Ag  Ag3  2  0.5000  0.0000  0.0932  1.0
  Sn  Sn4  2  0.0000  0.0000  0.9122  1.0
  Hg  Hg5  2  0.5000  0.0000  0.5867  1.0
]