data_[Te4Au8I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4662]
_cell_length_b [5.7052]
_cell_length_c [9.3785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Te(AuI)2]
_chemical_formula_sum '[Te4 Au8 I8]'
_cell_volume [762.7724]
_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
[
  Te  Te0  4  0.1776  0.0000  0.4141  1.0
  Au  Au1  4  0.1463  0.5000  0.4439  1.0
  Au  Au2  4  0.2252  0.0000  0.1525  1.0
  I  I3  4  0.0229  0.5000  0.7262  1.0
  I  I4  4  0.2313  0.5000  0.1194  1.0
]