data_[Ce4Nb4O16F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8052]
_cell_length_b [7.3945]
_cell_length_c [7.2006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2821]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeNbO4F]
_chemical_formula_sum '[Ce4 Nb4 O16 F4]'
_cell_volume [492.7836]
_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
[
  Ce  Ce0  4  0.2121  0.0000  0.1220  1
  Nb  Nb1  4  0.1514  0.5000  0.2823  1
  O  O2  8  0.2068  0.3050  0.1553  1
  O  O3  4  0.0486  0.5000  0.7794  1
  O  O4  4  0.2439  0.5000  0.5532  1
  F  F5  4  0.0197  0.0000  0.8362  1
]