data_[Ce6Sn10Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.6312]
_cell_length_b [13.7253]
_cell_length_c [10.4409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ce3Sn5Au6]
_chemical_formula_sum '[Ce6 Sn10 Au12]'
_cell_volume [663.6680]
_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  0.0000  0.3164  0.2453  1
  Ce  Ce1  2  0.0000  0.0000  0.2448  1
  Sn  Sn2  4  0.0000  0.1396  0.5229  1
  Sn  Sn3  4  0.0000  0.3369  0.8781  1
  Sn  Sn4  2  0.0000  0.0000  0.7761  1
  Au  Au5  4  0.0000  0.1453  0.9772  1
  Au  Au6  4  0.0000  0.3359  0.6202  1
  Au  Au7  2  0.0000  0.5000  0.0371  1
  Au  Au8  2  0.0000  0.5000  0.4440  1
]