data_[Ce3Be51Ru3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Be  1.5700  1.0500  0.5900
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.5485]
_cell_length_b [7.5485]
_cell_length_c [10.9518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CeBe17Ru]
_chemical_formula_sum '[Ce3 Be51 Ru3]'
_cell_volume [540.4295]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6575  1
  Be  Be1  18  0.0085  0.2943  0.0008  1
  Be  Be2  9  0.0062  0.5031  0.4994  1
  Be  Be3  9  0.0079  0.5040  0.1549  1
  Be  Be4  9  0.0203  0.5102  0.8485  1
  Be  Be5  3  0.0000  0.0000  0.1000  1
  Be  Be6  3  0.0000  0.0000  0.9078  1
  Ru  Ru7  3  0.0000  0.0000  0.3218  1
]