data_[Ce14Ru4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ru  2.2000  1.3000  0.6610
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2151]
_cell_length_b [9.9674]
_cell_length_c [8.0829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0148]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce7(RuAu)2]
_chemical_formula_sum '[Ce14 Ru4 Au4]'
_cell_volume [578.0963]
_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  8  0.1671  0.3083  0.1843  1.0
  Ce  Ce1  4  0.2394  0.5000  0.5869  1.0
  Ce  Ce2  2  0.0000  0.0000  0.0000  1.0
  Ru  Ru3  4  0.1622  0.5000  0.8977  1.0
  Au  Au4  4  0.0000  0.2305  0.5000  1.0
]