data_[Ce4Pd2Au5]
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 [P2/m]
_cell_length_a [7.5327]
_cell_length_b [3.7800]
_cell_length_c [9.0836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ce4Pd2Au5]
_chemical_formula_sum '[Ce4 Pd2 Au5]'
_cell_volume [258.5300]
_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  0.2114  0.5000  0.8588  1.0
  Ce  Ce1  2  0.2469  0.5000  0.4009  1.0
  Pd  Pd2  2  0.0704  0.0000  0.6390  1.0
  Au  Au3  2  0.1479  0.0000  0.1223  1.0
  Au  Au4  2  0.4390  0.0000  0.6553  1.0
  Au  Au5  1  0.5000  0.0000  0.0000  1.0
]