data_[Be51Zn3Ru3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Zn  1.6500  1.3500  0.8800
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.2217]
_cell_length_b [7.2217]
_cell_length_c [10.8551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Be17ZnRu]
_chemical_formula_sum '[Be51 Zn3 Ru3]'
_cell_volume [490.2778]
_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
[
  Be  Be0  18  0.0018  0.3078  0.0014  1
  Be  Be1  9  0.0049  0.5024  0.8435  1
  Be  Be2  9  0.0112  0.5056  0.1590  1
  Be  Be3  9  0.1684  0.8316  0.8380  1
  Be  Be4  3  0.0000  0.0000  0.1015  1
  Be  Be5  3  0.0000  0.0000  0.9013  1
  Zn  Zn6  3  0.0000  0.0000  0.6406  1
  Ru  Ru7  3  0.0000  0.0000  0.3264  1
]