data_[Ce1Si1H1Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2782]
_cell_length_b [4.2782]
_cell_length_c [4.2573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [CeSiHAu]
_chemical_formula_sum '[Ce1 Si1 H1 Au1]'
_cell_volume [67.4825]
_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  0.6667  0.3333  0.2109  1.0
  Si  Si1  1  0.3333  0.6667  0.6472  1.0
  H  H2  1  0.0000  0.0000  0.1683  1.0
  Au  Au3  1  0.0000  0.0000  0.7344  1.0
]