data_[Sn2Hg1Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.5720]
_cell_length_b [3.6226]
_cell_length_c [7.6378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2585]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sn2HgAu2]
_chemical_formula_sum '[Sn2 Hg1 Au2]'
_cell_volume [122.6035]
_cell_formula_units_Z [1]
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
[
  Sn  Sn0  2  0.3536  0.5000  0.7194  1.0
  Hg  Hg1  1  0.0000  0.0000  0.0000  1.0
  Au  Au2  2  0.1952  0.0000  0.3790  1.0
]