data_[Ce16In4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.5276]
_cell_length_b [5.5763]
_cell_length_c [7.5682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1881]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce4InAu]
_chemical_formula_sum '[Ce16 In4 Au4]'
_cell_volume [676.2248]
_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  0.0703  0.4039  0.4683  1
  Ce  Ce1  8  0.1635  0.1964  0.1063  1
  In  In2  4  0.0000  0.0857  0.7500  1
  Au  Au3  4  0.2500  0.2500  0.5000  1
]