data_[Ce1Ni4H6Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.3896]
_cell_length_b [4.3896]
_cell_length_c [6.5396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [CeNi4H6Au]
_chemical_formula_sum '[Ce1 Ni4 H6 Au1]'
_cell_volume [109.1277]
_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  0.5000  1
  Ni  Ni1  4  0.3333  0.6667  0.1869  1
  H  H2  6  0.0000  0.5000  0.3381  1
  Au  Au3  1  0.0000  0.0000  0.0000  1
]