data_[In4Te12Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [7.9033]
_cell_length_b [13.6119]
_cell_length_c [7.8361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6688]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [InTe3Au2]
_chemical_formula_sum '[In4 Te12 Au8]'
_cell_volume [793.8119]
_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
[
  In  In0  4  0.4959  0.4133  0.5019  1
  Te  Te1  4  0.3513  0.4121  0.1107  1
  Te  Te2  4  0.3586  0.2417  0.6218  1
  Te  Te3  4  0.3788  0.0856  0.1185  1
  Au  Au4  4  0.4753  0.0819  0.4852  1
  Au  Au5  4  0.4926  0.2521  0.9907  1
]