data_[Li8B24Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [8.8105]
_cell_length_b [10.9017]
_cell_length_c [3.3549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Li2B6Ru]
_chemical_formula_sum '[Li8 B24 Ru4]'
_cell_volume [322.2411]
_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
[
  Li  Li0  4  0.0547  0.6333  0.0000  1
  Li  Li1  4  0.1705  0.9117  0.0000  1
  B  B2  4  0.0215  0.7892  0.5000  1
  B  B3  4  0.0543  0.0623  0.5000  1
  B  B4  4  0.0972  0.4732  0.5000  1
  B  B5  4  0.1303  0.3214  0.5000  1
  B  B6  4  0.1984  0.7388  0.5000  1
  B  B7  4  0.2403  0.5772  0.5000  1
  Ru  Ru8  4  0.1487  0.1802  0.0000  1
]