data_[Yb6Rh18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0900]
_cell_length_b [5.2721]
_cell_length_c [9.2398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YbRh3]
_chemical_formula_sum '[Yb6 Rh18]'
_cell_volume [416.5724]
_cell_formula_units_Z [6]
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  0.1405  0.0000  0.4184  1.0
  Yb  Yb1  2  0.0000  0.0000  0.0000  1.0
  Rh  Rh2  8  0.1670  0.2500  0.7568  1.0
  Rh  Rh3  4  0.0902  0.5000  0.2570  1.0
  Rh  Rh4  4  0.1526  0.5000  0.9981  1.0
  Rh  Rh5  2  0.0000  0.5000  0.5000  1.0
]