data_[Bi24Te8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5160]
_cell_length_b [17.5504]
_cell_length_c [7.6490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0037]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Bi3TeAu]
_chemical_formula_sum '[Bi24 Te8 Au8]'
_cell_volume [1244.6912]
_cell_formula_units_Z [8]
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
[
  Bi  Bi0  8  0.0882  0.3084  0.4820  1
  Bi  Bi1  8  0.1522  0.0744  0.6426  1
  Bi  Bi2  8  0.1700  0.1744  0.1382  1
  Te  Te3  8  0.1212  0.4362  0.9844  1
  Au  Au4  4  0.0000  0.0550  0.2500  1
  Au  Au5  4  0.0000  0.2064  0.7500  1
]