data_[Cs1Te1Au1Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.9798]
_cell_length_b [7.1742]
_cell_length_c [7.5191]
_cell_angle_alpha [108.9322]
_cell_angle_beta [101.0672]
_cell_angle_gamma [97.9284]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsTeAuCl6]
_chemical_formula_sum '[Cs1 Te1 Au1 Cl6]'
_cell_volume [341.3007]
_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  0.8884  0.0030  0.0587  1.0
  Te  Te1  1  0.3367  0.4737  0.6611  1.0
  Au  Au2  1  0.6329  0.5897  0.2521  1.0
  Cl  Cl3  1  0.0571  0.5180  0.4467  1.0
  Cl  Cl4  1  0.1173  0.2541  0.7563  1.0
  Cl  Cl5  1  0.3198  0.7917  0.9307  1.0
  Cl  Cl6  1  0.3763  0.1778  0.3894  1.0
  Cl  Cl7  1  0.5884  0.7467  0.5563  1.0
  Cl  Cl8  1  0.6833  0.4454  0.9485  1.0
]