data_[La12B24Ru32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.5877]
_cell_length_b [9.8438]
_cell_length_c [17.6181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [La3(B3Ru4)2]
_chemical_formula_sum '[La12 B24 Ru32]'
_cell_volume [969.0769]
_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
[
  La  La0  8  0.0000  0.0000  0.1820  1.0
  La  La1  4  0.0000  0.0000  0.0000  1.0
  B  B2  16  0.0000  0.1640  0.3290  1.0
  B  B3  8  0.0000  0.1692  0.5000  1.0
  Ru  Ru4  16  0.2500  0.2500  0.0858  1.0
  Ru  Ru5  8  0.0000  0.0000  0.4132  1.0
  Ru  Ru6  8  0.2500  0.2500  0.2500  1.0
]