data_[Ce16Rh4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.4688]
_cell_length_b [12.5694]
_cell_length_c [5.7574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2311]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce4RhAu]
_chemical_formula_sum '[Ce16 Rh4 Au4]'
_cell_volume [558.8689]
_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  8  0.1166  0.1950  0.6366  1.0
  Ce  Ce1  8  0.2047  0.4045  0.8435  1.0
  Rh  Rh2  4  0.0000  0.0219  0.2500  1.0
  Au  Au3  4  0.0000  0.3823  0.2500  1.0
]