data_[Sb12Au6Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2939]
_cell_length_b [4.1471]
_cell_length_c [13.5671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2787]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sb6Au3Se]
_chemical_formula_sum '[Sb12 Au6 Se2]'
_cell_volume [522.4995]
_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
[
  Sb  Sb0  2  0.1069  0.2500  0.9214  1
  Sb  Sb1  2  0.1244  0.2500  0.4369  1
  Sb  Sb2  2  0.1781  0.7500  0.2694  1
  Sb  Sb3  2  0.2297  0.2500  0.7156  1
  Sb  Sb4  2  0.4227  0.2500  0.1328  1
  Sb  Sb5  2  0.4733  0.7500  0.5846  1
  Au  Au6  2  0.0877  0.2500  0.1392  1
  Au  Au7  2  0.1741  0.7500  0.5823  1
  Au  Au8  2  0.4765  0.7500  0.2711  1
  Se  Se9  2  0.3289  0.7500  0.9712  1
]