data_[Ce2Zn1Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.4741]
_cell_length_b [4.7179]
_cell_length_c [8.2393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ce2ZnAu3]
_chemical_formula_sum '[Ce2 Zn1 Au3]'
_cell_volume [135.0483]
_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  0.5068  1.0
  Ce  Ce1  1  0.0000  0.5000  0.9933  1.0
  Zn  Zn2  1  0.5000  0.5000  0.3281  1.0
  Au  Au3  1  0.5000  0.0000  0.1826  1.0
  Au  Au4  1  0.5000  0.0000  0.8397  1.0
  Au  Au5  1  0.5000  0.5000  0.6495  1.0
]