data_[Y2Nb6O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9027]
_cell_length_b [3.0813]
_cell_length_c [9.2905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YNb3O6]
_chemical_formula_sum '[Y2 Nb6 O12]'
_cell_volume [241.7305]
_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
[
  Y  Y0  2  0.1099  0.7500  0.3663  1
  Nb  Nb1  2  0.1384  0.7500  0.0313  1
  Nb  Nb2  2  0.2911  0.2500  0.7294  1
  Nb  Nb3  2  0.4818  0.2500  0.3612  1
  O  O4  2  0.0704  0.2500  0.1757  1
  O  O5  2  0.1037  0.7500  0.6252  1
  O  O6  2  0.2260  0.2500  0.9263  1
  O  O7  2  0.3120  0.2500  0.4997  1
  O  O8  2  0.3199  0.7500  0.2487  1
  O  O9  2  0.4314  0.7500  0.8268  1
]