data_[Ce4Ga4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [4.7487]
_cell_length_b [11.7085]
_cell_length_c [6.4933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [CeGaAu2]
_chemical_formula_sum '[Ce4 Ga4 Au8]'
_cell_volume [361.0255]
_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  4  0.2500  0.3304  0.9960  1
  Ga  Ga1  4  0.2500  0.0701  0.7889  1
  Au  Au2  4  0.2500  0.0750  0.2283  1
  Au  Au3  4  0.2500  0.3532  0.4869  1
]