data_[Yb4B8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  B  2.0400  0.8500  0.4100
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1591]
_cell_length_b [5.6560]
_cell_length_c [6.5079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.1587]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Yb(BAu)2]
_chemical_formula_sum '[Yb4 B8 Au8]'
_cell_volume [301.9172]
_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
[
  Yb  Yb0  4  0.0000  0.1089  0.2500  1
  B  B1  8  0.0294  0.5757  0.1415  1
  Au  Au2  8  0.2441  0.3091  0.2035  1
]