data_[Ce12In6Au2]
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 [P2_1/c]
_cell_length_a [5.8137]
_cell_length_b [8.7911]
_cell_length_c [12.0709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5076]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ce6In3Au]
_chemical_formula_sum '[Ce12 In6 Au2]'
_cell_volume [547.1829]
_cell_formula_units_Z [2]
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  0.0291  0.0818  0.2437  1
  Ce  Ce1  4  0.0596  0.6471  0.0536  1
  Ce  Ce2  4  0.4672  0.6416  0.4486  1
  In  In3  4  0.4445  0.1293  0.7483  1
  In  In4  2  0.5000  0.0000  0.5000  1
  Au  Au5  2  0.0000  0.0000  0.0000  1
]