data_[Ce4V4O16F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  V  1.6300  1.3500  0.7775
  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 [9.5195]
_cell_length_b [7.2401]
_cell_length_c [6.8719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeVO4F]
_chemical_formula_sum '[Ce4 V4 O16 F4]'
_cell_volume [450.7199]
_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  0.2154  0.0000  0.1185  1.0
  V  V1  4  0.1507  0.5000  0.2819  1.0
  O  O2  8  0.2025  0.3141  0.1531  1.0
  O  O3  4  0.0376  0.5000  0.7642  1.0
  O  O4  4  0.2426  0.5000  0.5391  1.0
  F  F5  4  0.0180  0.0000  0.8282  1.0
]