data_[Tl4Ag4Au4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8969]
_cell_length_b [12.6502]
_cell_length_c [10.7379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2734]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlAgAuBr5]
_chemical_formula_sum '[Tl4 Ag4 Au4 Br20]'
_cell_volume [1101.6846]
_cell_formula_units_Z [4]
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  4  0.0000  0.4380  0.2500  1.0
  Ag  Ag1  4  0.0000  0.0544  0.2500  1.0
  Au  Au2  4  0.2500  0.2500  0.0000  1.0
  Br  Br3  8  0.0262  0.2075  0.0805  1.0
  Br  Br4  8  0.2380  0.4622  0.0682  1.0
  Br  Br5  4  0.0000  0.2965  0.7500  1.0
]