data_[Ce5In4Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0698]
_cell_length_b [4.0698]
_cell_length_c [16.5317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ce5In4Au]
_chemical_formula_sum '[Ce5 In4 Au1]'
_cell_volume [273.8209]
_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  0.5000  0.5000  0.0900  1
  Ce  Ce1  2  0.5000  0.5000  0.2980  1
  Ce  Ce2  1  0.5000  0.5000  0.5000  1
  In  In3  2  0.0000  0.0000  0.1953  1
  In  In4  2  0.0000  0.0000  0.3989  1
  Au  Au5  1  0.0000  0.0000  0.0000  1
]