data_[Ce6Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4899]
_cell_length_b [4.0367]
_cell_length_c [8.3313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce3Au]
_chemical_formula_sum '[Ce6 Au2]'
_cell_volume [212.2751]
_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  2  0.0809  0.2500  0.9047  1
  Ce  Ce1  2  0.2370  0.2500  0.4248  1
  Ce  Ce2  2  0.3898  0.7500  0.1145  1
  Au  Au3  2  0.2794  0.7500  0.6972  1
]