data_[Te8Au4F2]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.9923]
_cell_length_b [8.0728]
_cell_length_c [8.2413]
_cell_angle_alpha [118.9156]
_cell_angle_beta [102.2820]
_cell_angle_gamma [105.0186]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Te4Au2F]
_chemical_formula_sum '[Te8 Au4 F2]'
_cell_volume [412.0510]
_cell_formula_units_Z [2]
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  2  0.1761  0.9242  0.2376  1
  Te  Te1  2  0.1850  0.4212  0.7484  1
  Te  Te2  2  0.3455  0.0283  0.9080  1
  Te  Te3  2  0.3657  0.6797  0.5450  1
  Au  Au4  1  0.0000  0.0000  0.5000  1
  Au  Au5  1  0.0000  0.5000  0.0000  1
  Au  Au6  1  0.0000  0.5000  0.5000  1
  Au  Au7  1  0.5000  0.0000  0.5000  1
  F  F8  2  0.2686  0.2703  0.0734  1
]