data_[Ce2Ge4Au2]
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 [P2_1/m]
_cell_length_a [4.3651]
_cell_length_b [4.4356]
_cell_length_c [9.3073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeGe2Au]
_chemical_formula_sum '[Ce2 Ge4 Au2]'
_cell_volume [176.2660]
_cell_formula_units_Z [2]
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  0.0827  0.2500  0.2065  1.0
  Ge  Ge1  2  0.2043  0.7500  0.5093  1.0
  Ge  Ge2  2  0.3916  0.2500  0.9412  1.0
  Au  Au3  2  0.4113  0.2500  0.6690  1.0
]