data_[Ce4Ge3Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.1373]
_cell_length_b [4.2601]
_cell_length_c [8.3240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9211]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ce4Ge3Au]
_chemical_formula_sum '[Ce4 Ge3 Au1]'
_cell_volume [217.6079]
_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  0.1268  0.5000  0.1830  1
  Ce  Ce1  1  0.3777  0.5000  0.6720  1
  Ce  Ce2  1  0.6228  0.0000  0.3239  1
  Ce  Ce3  1  0.8779  0.0000  0.8204  1
  Ge  Ge4  1  0.3697  0.0000  0.9580  1
  Ge  Ge5  1  0.6309  0.5000  0.0393  1
  Ge  Ge6  1  0.8610  0.5000  0.5422  1
  Au  Au7  1  0.1332  0.0000  0.4613  1
]