data_[Ce10Zn2Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.6973]
_cell_length_b [7.9674]
_cell_length_c [7.5088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ce5ZnRu4]
_chemical_formula_sum '[Ce10 Zn2 Ru8]'
_cell_volume [460.4941]
_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  0.2442  0.2635  0.7634  1
  Ce  Ce1  2  0.0000  0.5000  0.4667  1
  Zn  Zn2  2  0.0000  0.0000  0.9826  1
  Ru  Ru3  4  0.0000  0.3266  0.0403  1
  Ru  Ru4  4  0.1770  0.0000  0.5065  1
]