data_[Ce3In1Si2Au6]
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
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.3657]
_cell_length_b [6.3657]
_cell_length_c [8.2016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ce3In(SiAu3)2]
_chemical_formula_sum '[Ce3 In1 Si2 Au6]'
_cell_volume [287.8216]
_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  2  0.3333  0.6667  0.6549  1
  Ce  Ce1  1  0.0000  0.0000  0.0000  1
  In  In2  1  0.0000  0.0000  0.5000  1
  Si  Si3  2  0.3333  0.6667  0.0379  1
  Au  Au4  6  0.1821  0.3642  0.2691  1
]