data_[Yb12Al8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.5947]
_cell_length_b [8.2958]
_cell_length_c [8.5158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3681]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Yb3Al2]
_chemical_formula_sum '[Yb12 Al8]'
_cell_volume [572.8136]
_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  8  0.2017  0.4563  0.9732  1
  Yb  Yb1  4  0.0000  0.1788  0.2500  1
  Al  Al2  8  0.0950  0.2060  0.6566  1
]