data_[Sn2Hg4Te8Au2]
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
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.4742]
_cell_length_b [8.0740]
_cell_length_c [7.6529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [SnHg2Te4Au]
_chemical_formula_sum '[Sn2 Hg4 Te8 Au2]'
_cell_volume [585.4077]
_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  0.0000  0.1801  0.9916  1
  Hg  Hg1  4  0.2493  0.3389  0.4966  1
  Te  Te2  4  0.2263  0.6739  0.3747  1
  Te  Te3  2  0.0000  0.1622  0.3808  1
  Te  Te4  2  0.0000  0.8319  0.8707  1
  Au  Au5  2  0.0000  0.8473  0.5143  1
]