data_[Ce4Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.8891]
_cell_length_b [7.8479]
_cell_length_c [9.3078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CeAu6]
_chemical_formula_sum '[Ce4 Au24]'
_cell_volume [566.6796]
_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
[
  Ce  Ce0  4  0.0000  0.3166  0.2500  1.0
  Au  Au1  8  0.0998  0.0549  0.6377  1.0
  Au  Au2  8  0.1460  0.3119  0.8726  1.0
  Au  Au3  8  0.1978  0.4163  0.5802  1.0
]