data_[Te16W2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  W  2.3600  1.3500  0.7667
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0593]
_cell_length_b [9.5361]
_cell_length_c [6.1229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Te8WAu2]
_chemical_formula_sum '[Te16 W2 Au4]'
_cell_volume [697.6648]
_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  8  0.0737  0.1890  0.7138  1
  Te  Te1  4  0.0293  0.5000  0.2537  1
  Te  Te2  4  0.2128  0.0000  0.1812  1
  W  W3  2  0.0000  0.0000  0.0000  1
  Au  Au4  4  0.2476  0.0000  0.6371  1
]