data_[Te8Au4]
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
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [9.0206]
_cell_length_b [4.4520]
_cell_length_c [10.3247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Te2Au]
_chemical_formula_sum '[Te8 Au4]'
_cell_volume [341.2082]
_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  0.1943  0.4208  0.9550  1.0
  Te  Te1  4  0.3054  0.0310  0.7974  1.0
  Au  Au2  2  0.0000  0.0000  0.0000  1.0
  Au  Au3  2  0.5000  0.4827  0.2500  1.0
]