data_[Hf8B24Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [8.9473]
_cell_length_b [11.1931]
_cell_length_c [3.4443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Hf2B6Ru]
_chemical_formula_sum '[Hf8 B24 Ru4]'
_cell_volume [344.9366]
_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
[
  Hf  Hf0  4  0.0559  0.1277  0.0000  1
  Hf  Hf1  4  0.1776  0.4127  0.0000  1
  B  B2  4  0.0217  0.2888  0.5000  1
  B  B3  4  0.0523  0.5635  0.5000  1
  B  B4  4  0.1050  0.9714  0.5000  1
  B  B5  4  0.1320  0.8180  0.5000  1
  B  B6  4  0.2031  0.2385  0.5000  1
  B  B7  4  0.2485  0.0774  0.5000  1
  Ru  Ru8  4  0.1418  0.6793  0.0000  1
]