data_[Tl10Au2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.3521]
_cell_length_b [9.8373]
_cell_length_c [8.1118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Tl5AuS4]
_chemical_formula_sum '[Tl10 Au2 S8]'
_cell_volume [666.4818]
_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
[
  Tl  Tl0  8  0.2375  0.1957  0.7371  1.0
  Tl  Tl1  2  0.0000  0.5000  0.8779  1.0
  Au  Au2  2  0.0000  0.0000  0.3117  1.0
  S  S3  4  0.0000  0.2692  0.0191  1.0
  S  S4  4  0.2245  0.5000  0.6440  1.0
]