data_[Cu4Te16Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7250]
_cell_length_b [8.3452]
_cell_length_c [7.3092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8085]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu2Te8Au]
_chemical_formula_sum '[Cu4 Te16 Au2]'
_cell_volume [640.3395]
_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
[
  Cu  Cu0  4  0.2132  0.0000  0.3045  1
  Te  Te1  8  0.1631  0.2699  0.1331  1
  Te  Te2  4  0.0416  0.5000  0.6890  1
  Te  Te3  4  0.1301  0.0000  0.6112  1
  Au  Au4  2  0.0000  0.0000  0.0000  1
]