data_[Ba3Be2Ru1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Be  1.5700  1.0500  0.5900
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.5293]
_cell_length_b [5.5293]
_cell_length_c [7.3048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3Be2RuO8]
_chemical_formula_sum '[Ba3 Be2 Ru1 O8]'
_cell_volume [193.4094]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  2  0.3333  0.6667  0.6948  1
  Ba  Ba1  1  0.0000  0.0000  0.0000  1
  Be  Be2  2  0.3333  0.6667  0.2573  1
  Ru  Ru3  1  0.0000  0.0000  0.5000  1
  O  O4  6  0.1678  0.8322  0.3421  1
  O  O5  2  0.3333  0.6667  0.0453  1
]