data_[Tl2Sb1Au1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.0034]
_cell_length_b [8.1568]
_cell_length_c [8.1785]
_cell_angle_alpha [90.9762]
_cell_angle_beta [119.0306]
_cell_angle_gamma [118.8098]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl2SbAuBr6]
_chemical_formula_sum '[Tl2 Sb1 Au1 Br6]'
_cell_volume [386.4931]
_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  1  0.0727  0.0602  0.0174  1.0
  Tl  Tl1  1  0.2240  0.8168  0.5802  1.0
  Sb  Sb2  1  0.6310  0.9530  0.3110  1.0
  Au  Au3  1  0.4346  0.2490  0.8538  1.0
  Br  Br4  1  0.1317  0.2983  0.6461  1.0
  Br  Br5  1  0.1922  0.7181  0.9999  1.0
  Br  Br6  1  0.5169  0.1728  0.4543  1.0
  Br  Br7  1  0.5823  0.7276  0.5405  1.0
  Br  Br8  1  0.7624  0.2339  0.0798  1.0
  Br  Br9  1  0.7756  0.7551  0.1786  1.0
]