data_[Ce4H1C2F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2515]
_cell_length_b [3.6219]
_cell_length_c [6.3366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9515]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ce4HC2F]
_chemical_formula_sum '[Ce4 H1 C2 F1]'
_cell_volume [135.6996]
_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  0.2458  0.0000  0.7334  1.0
  Ce  Ce1  2  0.2581  0.5000  0.2648  1.0
  H  H2  1  0.5000  0.5000  0.0000  1.0
  C  C3  1  0.0000  0.5000  0.5000  1.0
  C  C4  1  0.5000  0.0000  0.5000  1.0
  F  F5  1  0.0000  0.0000  0.0000  1.0
]