data_[Cs1Te1Au1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.0988]
_cell_length_b [7.4960]
_cell_length_c [7.6364]
_cell_angle_alpha [108.5614]
_cell_angle_beta [97.7266]
_cell_angle_gamma [100.0952]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsTeAuBr6]
_chemical_formula_sum '[Cs1 Te1 Au1 Br6]'
_cell_volume [371.2863]
_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
[
  Cs  Cs0  1  0.1310  0.9022  0.9860  1.0
  Te  Te1  1  0.6651  0.3437  0.5288  1.0
  Au  Au2  1  0.3545  0.7459  0.4014  1.0
  Br  Br3  1  0.2920  0.0634  0.5514  1.0
  Br  Br4  1  0.4253  0.4366  0.2306  1.0
  Br  Br5  1  0.5967  0.6533  0.7950  1.0
  Br  Br6  1  0.6921  0.0349  0.2351  1.0
  Br  Br7  1  0.8688  0.2672  0.7940  1.0
  Br  Br8  1  0.9744  0.5528  0.4776  1.0
]