data_[Sn6Hg2As2Au2]
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
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3900]
_cell_length_b [4.0082]
_cell_length_c [9.1939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5289]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sn3HgAsAu]
_chemical_formula_sum '[Sn6 Hg2 As2 Au2]'
_cell_volume [307.1755]
_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
[
  Sn  Sn0  2  0.1177  0.7500  0.1063  1.0
  Sn  Sn1  2  0.3304  0.2500  0.4447  1.0
  Sn  Sn2  2  0.3990  0.2500  0.8155  1.0
  Hg  Hg3  2  0.1323  0.7500  0.7408  1.0
  As  As4  2  0.3550  0.2500  0.1203  1.0
  Au  Au5  2  0.0927  0.7500  0.4184  1.0
]