data_[Tl4Hg1Au2S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1039]
_cell_length_b [4.2802]
_cell_length_c [7.8640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8603]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tl4HgAu2S]
_chemical_formula_sum '[Tl4 Hg1 Au2 S1]'
_cell_volume [224.8943]
_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
[
  Tl  Tl0  2  0.2583  0.5000  0.2752  1
  Tl  Tl1  2  0.2613  0.0000  0.7363  1
  Hg  Hg2  1  0.0000  0.0000  0.0000  1
  Au  Au3  1  0.5000  0.0000  0.5000  1
  Au  Au4  1  0.5000  0.5000  0.0000  1
  S  S5  1  0.0000  0.5000  0.5000  1
]