data_[Ce1Pd7Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0048]
_cell_length_b [5.7939]
_cell_length_c [7.6669]
_cell_angle_alpha [77.1459]
_cell_angle_beta [71.7390]
_cell_angle_gamma [89.7040]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CePd7Au4]
_chemical_formula_sum '[Ce1 Pd7 Au4]'
_cell_volume [205.3317]
_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  1  0.0000  0.0000  0.0000  1
  Pd  Pd1  2  0.1658  0.9236  0.3288  1
  Pd  Pd2  2  0.3299  0.3235  0.6748  1
  Pd  Pd3  2  0.4975  0.7476  0.9987  1
  Pd  Pd4  1  0.0000  0.5000  0.0000  1
  Au  Au5  2  0.1635  0.4242  0.3319  1
  Au  Au6  2  0.3441  0.8225  0.6598  1
]