data_[Ce2Pd7Au3]
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 [4.8719]
_cell_length_b [5.4243]
_cell_length_c [9.2399]
_cell_angle_alpha [85.4099]
_cell_angle_beta [84.8174]
_cell_angle_gamma [67.6249]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ce2Pd7Au3]
_chemical_formula_sum '[Ce2 Pd7 Au3]'
_cell_volume [224.5951]
_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  0.4202  0.6979  0.7774  1
  Pd  Pd1  2  0.0196  0.2314  0.4130  1
  Pd  Pd2  2  0.0457  0.7248  0.2770  1
  Pd  Pd3  2  0.4987  0.1313  0.8647  1
  Pd  Pd4  1  0.0000  0.0000  0.0000  1
  Au  Au5  2  0.4833  0.2511  0.5652  1
  Au  Au6  1  0.0000  0.5000  0.0000  1
]