data_[Ce4C1N1F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2195]
_cell_length_b [3.6056]
_cell_length_c [6.3352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2294]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ce4CNF2]
_chemical_formula_sum '[Ce4 C1 N1 F2]'
_cell_volume [134.1402]
_cell_formula_units_Z [1]
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  2  0.2407  0.5000  0.2291  1.0
  Ce  Ce1  2  0.2538  0.0000  0.7687  1.0
  C  C2  1  0.5000  0.5000  0.0000  1.0
  N  N3  1  0.0000  0.0000  0.0000  1.0
  F  F4  1  0.0000  0.5000  0.5000  1.0
  F  F5  1  0.5000  0.0000  0.5000  1.0
]