data_[Yb4Nb2Al2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Nb  1.6000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3037]
_cell_length_b [5.4073]
_cell_length_c [5.4208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0979]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Yb2NbAlO6]
_chemical_formula_sum '[Yb4 Nb2 Al2 O12]'
_cell_volume [223.1230]
_cell_formula_units_Z [2]
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  0.2479  0.5000  0.7318  1.0
  Nb  Nb1  2  0.0000  0.5000  0.0000  1.0
  Al  Al2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.0489  0.2441  0.3061  1.0
  O  O4  4  0.2444  0.0000  0.8334  1.0
]