data_[Sb40Au96Se24]
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 [Ia-3d]
_cell_length_a [15.8829]
_cell_length_b [15.8829]
_cell_length_c [15.8829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Sb5(Au4Se)3]
_chemical_formula_sum '[Sb40 Au96 Se24]'
_cell_volume [4006.7064]
_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
[
  Sb  Sb0  24  0.0000  0.2500  0.3750  1
  Sb  Sb1  16  0.0000  0.0000  0.0000  1
  Au  Au2  96  0.0192  0.0845  0.6513  1
  Se  Se3  24  0.0000  0.2500  0.1250  1
]