data_[Ce1Sb3Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.6195]
_cell_length_b [5.6195]
_cell_length_c [9.5676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [CeSb3Au8]
_chemical_formula_sum '[Ce1 Sb3 Au8]'
_cell_volume [261.6575]
_cell_formula_units_Z [1]
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
[
  Ce  Ce0  1  0.0000  0.0000  0.4539  1.0
  Sb  Sb1  1  0.0000  0.0000  0.0758  1.0
  Sb  Sb2  1  0.6667  0.3333  0.5225  1.0
  Sb  Sb3  1  0.6667  0.3333  0.9596  1.0
  Au  Au4  3  0.1645  0.3289  0.7496  1.0
  Au  Au5  3  0.5013  0.0025  0.2480  1.0
  Au  Au6  1  0.3333  0.6667  0.4983  1.0
  Au  Au7  1  0.3333  0.6667  0.9968  1.0
]