data_[Ce16Ge4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ge  2.0100  1.2500  0.7700
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.4146]
_cell_length_b [12.6095]
_cell_length_c [5.9782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce4GeRu]
_chemical_formula_sum '[Ce16 Ge4 Ru4]'
_cell_volume [574.5082]
_cell_formula_units_Z [4]
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  0.1294  0.1949  0.5850  1.0
  Ce  Ce1  8  0.2071  0.4087  0.8169  1.0
  Ge  Ge2  4  0.0000  0.3881  0.2500  1.0
  Ru  Ru3  4  0.0000  0.0023  0.7500  1.0
]