data_[Ce4Mo4O16F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9924]
_cell_length_b [6.5801]
_cell_length_c [9.9753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CeMoO4F]
_chemical_formula_sum '[Ce4 Mo4 O16 F4]'
_cell_volume [414.1314]
_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  0.1978  0.1309  0.4216  1
  Mo  Mo1  4  0.3331  0.6349  0.6661  1
  O  O2  4  0.1697  0.6422  0.0838  1
  O  O3  4  0.2070  0.1002  0.0949  1
  O  O4  4  0.4390  0.6138  0.8662  1
  O  O5  4  0.4467  0.1485  0.8737  1
  F  F6  4  0.0129  0.6159  0.7404  1
]